data_2yka_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 2yka _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 ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.437 -0.265 . . . . 64.099999999999994 112.437 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.3 161.97 30.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 70.439999999999998 111.093 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -103.97 113.57 27.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 73.329999999999998 110.843 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.19 139.61 30.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 71.040000000000006 110.9 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.64 108.49 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 74.109999999999999 110.936 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.8 t -90.57 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 111.09 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.4 p -144.63 159.52 42.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.310000000000002 110.887 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.11 45.98 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 65.439999999999998 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.68 158.57 17.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 71.230000000000004 110.936 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -55.55 177.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 65.420000000000002 110.861 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.662 ' HE1' ' CE2' ' A' ' 84' ' ' PHE . 51.1 p90 -93.15 -7.42 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.409999999999997 110.884 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.24 -17.32 59.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 65.040000000000006 112.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 p -50.65 142.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.310000000000002 111.16 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.0 m -145.68 167.18 23.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 55.409999999999997 110.788 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -59.91 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 62.100000000000001 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -38.9 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 53.039999999999999 111.105 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -60.66 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 74.25 110.848 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.1 pt -61.06 -29.13 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 72.200000000000003 111.122 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -61.22 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 73.219999999999999 110.908 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.49 -46.93 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.16 -66.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 63.329999999999998 110.923 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -59.64 -27.22 66.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 74.319999999999993 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.329999999999998 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.92 -30.09 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 65.010000000000005 110.873 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 16.9 m-85 -68.28 -50.25 54.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 110.885 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.97 -102.74 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 71.109999999999999 112.438 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 m -133.55 138.38 46.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.332 . . . . 72.439999999999998 111.149 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.7 mt -113.86 145.35 41.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 110.905 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -100.65 -25.38 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.140000000000001 110.915 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 156.72 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 70.430000000000007 110.938 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.11 132.06 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 52.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.02 157.13 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 74.239999999999995 111.099 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.35 149.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 74.230000000000004 111.16 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.340000000000003 110.874 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.856 0.36 . . . . 74.349999999999994 110.85 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.88 -31.78 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 110.89 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.87 -20.97 3.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.745 -0.74 . . . . 74.25 112.486 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.4 p -132.79 142.14 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 74.25 111.183 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.55 166.59 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.230000000000004 111.074 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.39 127.3 40.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 75.310000000000002 110.887 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.36 127.13 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 75.519999999999996 111.118 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.12 115.5 27.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.019999999999996 110.895 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -88.09 139.97 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.040000000000006 110.914 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.45 -15.81 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 145.35 42.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 110.918 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -32.72 62.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -63.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 75.439999999999998 111.095 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.25 -28.17 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.87 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.14 -57.18 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.150000000000006 111.051 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -57.83 -42.52 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.828 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.13 -46.15 78.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.934 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.16 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 72.120000000000005 111.064 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 72.230000000000004 110.853 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -78.39 -25.57 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -89.39 -10.99 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.109999999999999 110.936 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -109.76 -41.38 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.883 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -50.75 112.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.888 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.98 5.23 33.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 60.210000000000001 112.482 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.3 t -87.75 112.68 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.732 . . . . 74.420000000000002 111.108 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.56 21.49 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 75.010000000000005 112.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 tp -127.63 97.75 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 74.329999999999998 110.875 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 50.71 37.02 15.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 72.420000000000002 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.44 20.2 38.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 61.329999999999998 112.485 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -140.88 93.89 8.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 71.510000000000005 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.09 4.4 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.72 2.28 . . . . 72.319999999999993 112.339 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 mtp -65.27 143.23 57.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 54.109999999999999 110.901 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -133.57 110.92 10.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 71.25 110.892 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.4 mp -106.06 139.34 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 74.400000000000006 111.151 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.71 115.94 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.439999999999998 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.13 123.75 26.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.329999999999998 111.085 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 68.8 t90 . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 120.762 0.315 . . . . 75.430000000000007 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.78 -30.99 51.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 61.039999999999999 111.076 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.21 -49.48 67.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 72.299999999999997 110.844 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -58.83 -38.74 79.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.310000000000002 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 65.9 t -66.81 -60.11 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.439999999999998 111.217 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -54.13 -33.1 56.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 71.409999999999997 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.31 -41.06 63.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 71.150000000000006 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.83 98.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 55.539999999999999 111.082 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.219999999999999 111.088 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.449 -0.26 . . . . 63.240000000000002 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.9 155.59 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 74.430000000000007 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -90.6 113.74 25.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 73.430000000000007 110.919 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.75 133.33 44.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.430000000000007 110.919 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.05 127.18 53.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 72.420000000000002 110.961 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.67 141.95 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 71.510000000000005 111.113 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.9 m -142.63 155.86 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 65.510000000000005 110.876 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.07 47.78 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.219999999999999 110.889 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.41 156.89 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.5 110.955 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -57.55 177.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 110.92 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -88.27 -24.56 23.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 75.530000000000001 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.31 -21.05 70.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 43.149999999999999 112.487 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.63 145.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 75.549999999999997 111.133 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -149.39 167.37 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.879 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.62 -59.22 4.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 74.430000000000007 110.853 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.99 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 64.439999999999998 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -56.85 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 71.420000000000002 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.4 pt -65.19 -29.69 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.131 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -61.01 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.510000000000005 110.942 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.55 -46.81 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -66.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 74.349999999999994 110.941 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.74 -28.37 65.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.450000000000003 110.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.01 70.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 71.439999999999998 111.139 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -30.43 58.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.846 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.659 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 22.6 m-85 -70.04 -49.4 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 73.129999999999995 110.906 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.05 -114.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 75.400000000000006 112.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -127.02 130.33 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 75.420000000000002 111.181 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.4 mt -107.37 147.84 29.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.891 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -98.22 -25.61 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.540000000000006 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.11 156.31 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.938 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.19 127.01 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 74.439999999999998 111.118 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 157.27 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.310000000000002 111.084 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.3 p -125.8 144.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 72.239999999999995 111.159 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.329999999999998 110.846 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.933 0.396 . . . . 74.129999999999995 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.52 -27.04 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 -13.41 5.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.140000000000001 112.449 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.0 p -140.58 141.71 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 75.439999999999998 111.144 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -119.84 168.21 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 71.040000000000006 111.106 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.37 125.29 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.44 129.88 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 75.400000000000006 111.098 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -95.65 115.28 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.826 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -88.19 143.27 27.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 75.150000000000006 110.848 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -79.77 -20.21 46.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 71.340000000000003 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 140.26 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 110.857 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.69 -28.89 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.209999999999994 110.851 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 63.420000000000002 111.172 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.62 -33.63 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.319999999999993 110.858 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.04 86.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 61.420000000000002 111.076 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -49.31 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 63.350000000000001 110.986 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -37.97 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 110.864 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.69 -61.26 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.219999999999999 111.093 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -32.25 65.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.844 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -77.8 -29.41 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 75.540000000000006 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -89.75 -11.6 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 75.430000000000007 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -105.17 -42.46 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 110.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -50.31 112.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.420000000000002 110.935 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.17 -0.85 29.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 72.230000000000004 112.502 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.52 113.31 41.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 73.439999999999998 111.108 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.19 20.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 75.310000000000002 112.339 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tp -127.51 97.75 4.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 73.540000000000006 110.946 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t0 51.85 36.55 18.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 64.439999999999998 110.871 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.89 19.3 40.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.219999999999999 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.14 97.83 6.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 72.120000000000005 110.902 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 115.77 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 75.519999999999996 112.37 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.3 mtp -63.14 143.47 57.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 72.340000000000003 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -134.28 107.89 7.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 74.319999999999993 110.869 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.32 136.55 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.25 111.136 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.01 129.09 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.95 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.4 tt -87.59 123.08 32.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.540000000000006 110.927 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 50.3 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 65.439999999999998 111.147 179.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 65.8 t90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.824 0.345 . . . . 74.329999999999998 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.93 -32.68 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.230000000000004 111.088 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.63 -57.7 8.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 70.420000000000002 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -51.51 -34.19 35.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 71.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.31 -60.28 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 111.175 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -59.66 -23.4 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 73.319999999999993 110.9 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.36 -45.68 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.918 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.68 -28.42 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 43.030000000000001 111.094 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 70.120000000000005 111.096 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 74.510000000000005 112.514 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.41 168.67 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 74.299999999999997 111.191 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -105.92 113.82 27.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 74.310000000000002 110.906 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.13 139.66 30.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 74.340000000000003 110.943 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -118.64 109.42 16.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 73.430000000000007 110.964 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.68 141.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 75.099999999999994 111.111 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.6 m -146.23 160.71 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 110.845 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 t30 64.0 42.52 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.866 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.72 158.29 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.907 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -54.95 177.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.882 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.642 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 39.8 m-85 -93.82 0.42 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.863 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.3 -16.65 36.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 73.319999999999993 112.429 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.73 145.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 73.299999999999997 111.174 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 m -147.95 167.65 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.885 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.04 -60.73 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 74.109999999999999 110.883 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.83 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 64.25 111.078 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -61.37 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 71.319999999999993 110.849 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.3 pt -60.77 -28.26 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 111.122 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -61.16 2.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.329999999999998 110.942 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.36 -47.19 86.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.140000000000001 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -66.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.329999999999998 110.943 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -58.85 -27.48 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.299999999999997 110.877 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 72.030000000000001 111.092 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -52.65 -30.71 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 75.230000000000004 110.938 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 29.0 m-85 -69.56 -50.9 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 75.219999999999999 110.923 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.97 -120.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 75.010000000000005 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 m -127.0 107.77 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 74.319999999999993 111.158 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.97 165.42 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 73.530000000000001 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -30.27 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.902 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.66 156.22 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 71.519999999999996 110.829 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.93 134.69 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 65.109999999999999 111.061 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 153.74 40.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 63.25 111.054 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -130.65 152.17 37.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 111.105 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.858 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.943 0.402 . . . . 73.530000000000001 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.8 -26.4 68.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 74.430000000000007 110.96 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.18 -15.43 4.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 44.520000000000003 112.505 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.5 p -135.11 141.83 46.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 72.120000000000005 111.109 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -127.63 166.05 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.209999999999994 111.133 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.01 122.99 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.829 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.96 130.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 63.439999999999998 111.16 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -95.61 114.03 25.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.510000000000005 110.802 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -86.76 133.47 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.847 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.43 -14.48 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 63.329999999999998 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.44 142.38 37.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.049999999999997 110.898 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -30.79 58.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.030000000000001 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.43 -64.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 65.310000000000002 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -26.81 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.040000000000006 110.83 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.95 -51.55 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.430000000000007 111.106 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.12 -40.47 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -65.55 -48.41 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.902 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.9 -60.31 3.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.89 53.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 74.230000000000004 110.877 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -77.45 -28.61 52.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.909 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.17 -11.1 44.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -106.39 -43.82 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.013 0.435 . . . . 73.319999999999993 110.96 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -50.46 112.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 74.319999999999993 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.84 1.75 30.39 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.706 -0.759 . . . . 73.150000000000006 112.468 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.5 t -84.9 112.78 45.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 72.310000000000002 111.112 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.91 18.4 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.72 2.28 . . . . 73.349999999999994 112.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.1 tp -125.02 97.7 5.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 110.959 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.0 t0 51.62 35.25 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 65.530000000000001 110.911 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.63 34.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 62.130000000000003 112.52 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.98 95.51 7.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 74.299999999999997 110.897 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 116.27 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 73.25 112.325 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.93 145.63 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.833 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -135.27 107.75 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 73.299999999999997 110.871 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.31 131.11 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 111.141 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.03 115.76 25.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 17.1 tp -76.7 128.16 34.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.450000000000003 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.450000000000003 111.19 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 67.4 t90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 74.340000000000003 110.936 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.14 -30.67 49.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 111.087 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.98 -52.47 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 65.329999999999998 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -56.67 -40.24 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 73.140000000000001 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.18 -60.28 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 111.099 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -55.02 -30.29 59.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.874 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -75.47 -37.54 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.230000000000004 110.876 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.76 78.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 65.219999999999999 111.1 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.450000000000003 111.181 179.871 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.527 -0.229 . . . . 74.549999999999997 112.527 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.13 178.44 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 72.420000000000002 111.058 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -112.76 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 71.150000000000006 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -118.53 136.61 53.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.019999999999996 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.7 tp -113.39 114.07 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.87 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.6 t -90.89 148.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 72.230000000000004 111.145 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.8 m -148.34 161.56 41.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 70.239999999999995 110.865 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 t30 65.39 42.51 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.13 157.89 17.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.540000000000006 110.866 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.34 177.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 73.409999999999997 110.867 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.607 ' HE2' ' CE1' ' A' ' 84' ' ' PHE . 28.0 m-85 -91.99 -14.65 29.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 110.864 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.59 -16.89 76.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 74.329999999999998 112.513 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.3 p -50.26 146.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.786 0.327 . . . . 74.129999999999995 111.173 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.1 m -149.59 165.59 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.239999999999995 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -60.17 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 75.430000000000007 110.842 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.66 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 111.061 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -60.26 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.87 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.4 pt -61.44 -29.1 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 111.17 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -61.06 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.209999999999994 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.1 -46.85 88.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 73.430000000000007 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.44 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 73.319999999999993 110.945 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.22 -27.25 65.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 75.450000000000003 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -30.17 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 73.430000000000007 111.037 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -55.54 -30.07 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.823 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 20.3 m-85 -69.3 -50.69 44.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.019999999999996 110.836 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.53 -115.92 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 72.0 112.462 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 m -129.54 117.08 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 71.400000000000006 111.186 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.0 mt -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.219999999999999 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.88 -32.16 5.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 110.897 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 150.92 28.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.150000000000006 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.98 131.21 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 73.329999999999998 111.119 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.24 157.56 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.439999999999998 111.098 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.0 p -129.01 151.0 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 71.530000000000001 111.099 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 110.937 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.906 0.384 . . . . 73.219999999999999 110.956 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.94 -27.54 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 74.349999999999994 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.26 -16.4 3.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 63.100000000000001 112.46 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 29.9 p -140.2 141.61 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 73.25 111.098 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -124.39 169.36 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 111.098 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.87 128.45 45.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 63.450000000000003 110.937 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.68 126.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 111.127 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -98.29 113.87 25.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.773 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -85.06 148.66 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 75.530000000000001 110.883 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.11 -15.69 55.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 70.25 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.29 140.4 39.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.349999999999994 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -69.91 -42.67 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.209999999999994 110.879 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.07 -63.94 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 75.120000000000005 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -52.88 -37.3 60.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 75.349999999999994 110.869 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.23 97.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 111.133 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -44.71 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.120000000000005 110.885 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -63.58 -43.53 96.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 110.858 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.17 -62.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 111.091 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -32.89 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.030000000000001 110.886 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -78.9 -27.66 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 74.209999999999994 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -10.54 45.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 73.439999999999998 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -108.37 -43.96 4.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 75.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -49.09 112.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.874 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.41 5.21 32.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 74.219999999999999 112.505 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 50.3 t -87.56 112.01 45.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 72.209999999999994 111.083 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.63 129.35 17.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 70.319999999999993 112.386 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.99 98.07 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 71.150000000000006 110.894 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.1 t70 51.7 33.41 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 73.519999999999996 110.85 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.76 20.03 27.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.788 -0.72 . . . . 61.32 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.15 97.01 7.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.612 0.72 . . . . 74.319999999999993 110.786 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 116.43 4.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.628 2.219 . . . . 74.519999999999996 112.331 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 mtp -65.68 141.26 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 110.846 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -130.56 107.69 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 74.340000000000003 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.89 126.93 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.299999999999997 111.102 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 110.944 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.4 tt -77.17 134.71 38.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 70.129999999999995 110.893 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 71.530000000000001 111.147 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 64.8 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.762 0.315 . . . . 74.340000000000003 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.29 -22.58 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 64.420000000000002 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.46 -57.74 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.099999999999994 110.785 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.23 -49.47 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 74.030000000000001 110.816 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.54 -36.45 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.340000000000003 111.099 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -59.04 -41.17 87.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 71.340000000000003 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.93 -42.23 49.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.49 76.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.319999999999993 111.096 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 72.340000000000003 111.019 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.473 -0.251 . . . . 62.439999999999998 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.83 167.69 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 73.319999999999993 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -106.99 113.21 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.099999999999994 110.941 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.84 139.43 30.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 62.219999999999999 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 tp -120.36 112.68 19.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 74.150000000000006 110.844 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.31 142.86 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 75.099999999999994 111.138 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.7 p -145.86 155.7 43.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 72.099999999999994 110.813 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 t30 64.63 46.46 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 74.209999999999994 110.906 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.82 157.69 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.519999999999996 110.889 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 177.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 54.25 110.844 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -92.01 -12.66 32.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 72.530000000000001 110.869 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.46 -16.96 72.33 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.745 -0.74 . . . . 71.230000000000004 112.421 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.2 p -50.9 145.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 73.129999999999995 111.17 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 166.03 30.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 74.319999999999993 110.862 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.38 -60.37 2.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 71.519999999999996 110.847 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.09 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.209999999999994 111.123 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -60.31 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 55.200000000000003 110.936 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 pt -61.67 -29.48 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 111.117 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -61.03 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.030000000000001 110.924 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.69 -47.07 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 73.120000000000005 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.16 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.120000000000005 110.9 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -58.83 -28.44 66.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.917 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.72 -30.68 71.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 71.329999999999998 111.138 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -30.71 43.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 74.530000000000001 110.887 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.648 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 25.8 m-85 -69.29 -50.92 42.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 75.150000000000006 110.898 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.03 -111.3 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 75.329999999999998 112.49 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -127.8 133.66 49.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.346 . . . . 75.230000000000004 111.134 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.0 mt -111.49 146.26 37.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 74.219999999999999 110.875 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -101.48 -27.18 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.908 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 146.92 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 110.821 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.74 112.4 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 111.092 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.7 157.21 47.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 74.150000000000006 111.142 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.9 p -124.36 145.49 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 72.129999999999995 111.172 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 110.879 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.915 0.388 . . . . 75.329999999999998 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.94 -29.3 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 72.430000000000007 110.891 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.72 -15.4 4.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 72.099999999999994 112.51 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -134.03 141.8 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 74.150000000000006 111.211 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -119.21 164.87 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 111.095 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.21 118.52 22.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -127.33 125.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 111.13 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -95.56 114.98 26.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 75.209999999999994 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -85.16 144.92 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 72.329999999999998 110.894 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -78.19 -16.65 57.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 75.019999999999996 110.883 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.86 143.99 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 110.838 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -34.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 110.804 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.519999999999996 111.045 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.140000000000001 110.778 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.96 -50.59 54.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.010000000000005 111.099 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.140000000000001 110.976 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -64.99 -44.85 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.439999999999998 110.934 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.69 -61.72 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 111.057 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -34.18 53.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 75.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -78.06 -27.55 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.15 -11.33 44.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 70.219999999999999 110.904 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -107.16 -43.28 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.879 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -50.52 112.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 72.510000000000005 110.953 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.26 3.46 33.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 72.129999999999995 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 56.1 t -86.57 112.77 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 75.120000000000005 111.14 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 129.95 18.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.724 2.283 . . . . 72.219999999999999 112.335 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 tp -124.48 97.89 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 65.530000000000001 110.91 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 t70 50.91 34.82 11.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 73.019999999999996 110.856 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.51 19.75 31.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 75.430000000000007 112.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 4.1 mmp_? -141.1 95.19 7.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 75.329999999999998 110.882 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 143' ' ' ARG . 53.0 Cg_endo -69.79 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 73.420000000000002 112.325 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -65.03 146.08 55.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 110.871 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -135.66 107.74 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.239999999999995 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.06 132.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 73.239999999999995 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.7 115.89 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.239999999999995 110.951 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.4 tt -76.23 129.51 36.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.400000000000006 110.942 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.510000000000005 111.164 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 66.3 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.732 0.301 . . . . 74.329999999999998 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.61 -25.1 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.530000000000001 111.116 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -58.35 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 62.509999999999998 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -51.83 -37.14 50.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.845 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.15 -41.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 74.140000000000001 111.123 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -63.9 -37.48 87.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.340000000000003 110.861 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.74 -35.85 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.120000000000005 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.45 88.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 111.117 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 74.430000000000007 111.129 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.465 -0.254 . . . . 71.129999999999995 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.41 172.1 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 72.519999999999996 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -110.1 113.36 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.340000000000003 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.94 140.61 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 70.519999999999996 110.949 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.0 tp -121.04 110.11 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.59 143.6 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 73.519999999999996 111.117 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -147.41 158.91 44.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 110.846 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.03 42.66 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 63.520000000000003 110.834 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.75 156.2 18.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 73.219999999999999 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.4 177.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.319999999999993 110.877 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.598 ' HE2' ' CE1' ' A' ' 84' ' ' PHE . 46.0 p90 -90.17 -18.46 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 71.239999999999995 110.866 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -19.71 79.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 74.329999999999998 112.551 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.7 p -50.35 146.46 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 72.230000000000004 111.176 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 165.08 33.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 110.874 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -59.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.18 77.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 111.07 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -61.03 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.6 pt -61.12 -28.7 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.0 111.056 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -61.27 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 64.120000000000005 110.862 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.19 -47.32 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.340000000000003 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.04 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.310000000000002 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -59.92 -27.88 67.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.875 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.26 -30.5 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.030000000000001 111.11 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.12 -31.32 51.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 74.310000000000002 110.885 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.636 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 30.4 m-85 -67.98 -49.04 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.897 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.01 -120.28 0.53 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 73.519999999999996 112.472 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -124.09 112.99 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 73.239999999999995 111.085 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.14 154.39 21.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 75.140000000000001 110.871 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -33.72 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.519999999999996 110.891 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -157.18 150.75 24.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 75.400000000000006 110.881 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.04 127.09 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.200000000000003 111.037 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.03 151.06 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -120.18 152.41 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 63.310000000000002 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.219999999999999 110.871 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.833 0.349 . . . . 74.540000000000006 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.3 mt -69.77 -24.63 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 74.219999999999999 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.81 -14.88 5.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.819 -0.705 . . . . 70.140000000000001 112.511 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -138.22 141.66 39.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.78 0.324 . . . . 71.310000000000002 111.134 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.97 162.22 23.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 111.061 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -126.57 126.07 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.89 125.87 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 111.118 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -95.28 119.4 33.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 70.219999999999999 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -88.97 134.31 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 110.886 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.82 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 62.310000000000002 110.884 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 143.56 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 75.219999999999999 110.933 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.91 -33.03 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 70.230000000000004 110.897 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.09 -64.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.010000000000005 111.16 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -26.24 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.88 -50.8 65.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.25 111.059 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.01 -38.44 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 73.409999999999997 110.89 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -67.53 -47.65 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 110.943 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.56 -57.26 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.319999999999993 111.081 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -33.62 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 71.450000000000003 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -76.4 -28.68 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 73.510000000000005 110.9 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -89.22 -14.35 36.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -101.9 -43.99 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.836 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -50.48 112.04 0.63 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 72.430000000000007 110.872 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.64 2.71 28.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.663 -0.779 . . . . 75.5 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.36 112.67 43.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 75.439999999999998 111.1 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 132.0 22.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 74.299999999999997 112.337 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.0 tp -129.51 97.85 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.986 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.57 37.07 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 74.439999999999998 110.854 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.47 20.66 40.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 62.399999999999999 112.496 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.06 94.39 7.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 75.239999999999995 110.915 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 116.19 4.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 73.109999999999999 112.371 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mtp -62.11 144.77 54.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 73.450000000000003 110.946 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -134.69 107.74 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 70.239999999999995 110.833 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.11 137.37 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 71.239999999999995 111.142 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.94 115.75 21.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.099999999999994 110.891 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.3 tt -76.87 126.87 31.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 74.510000000000005 110.923 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 60.219999999999999 111.098 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 68.9 t90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.699 0.285 . . . . 75.430000000000007 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.24 -31.07 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.420000000000002 111.079 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.23 -56.47 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.55 -47.72 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.842 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.83 -50.67 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 72.299999999999997 111.112 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -52.01 -37.37 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 110.915 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.63 -47.93 43.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.77 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.349999999999994 111.084 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 111.07 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.51 -0.236 . . . . 61.32 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.8 153.45 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 62.409999999999997 111.09 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -83.74 152.77 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -134.24 106.76 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 110.879 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp -89.47 109.54 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 64.230000000000004 110.953 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.3 t -90.96 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.349999999999994 111.196 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -146.15 160.81 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 110.878 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 65.37 43.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.6 160.75 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.209999999999994 110.889 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -54.89 177.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 63.539999999999999 110.833 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -94.0 3.66 55.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.409999999999997 110.946 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.47 -16.94 25.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 32.43 112.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.71 148.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 70.400000000000006 111.158 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m -149.29 166.69 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 31.420000000000002 110.893 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -59.14 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 74.319999999999993 110.939 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.73 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 75.340000000000003 111.094 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 74.040000000000006 110.891 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.6 pt -60.63 -34.64 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.310000000000002 111.155 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -61.56 2.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 71.319999999999993 110.883 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.91 -47.45 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.841 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -65.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.310000000000002 110.891 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -59.09 -29.38 67.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 110.917 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.43 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.209999999999994 111.061 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -30.94 44.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 74.230000000000004 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 17.2 m-85 -66.16 -52.23 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.200000000000003 110.88 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.69 -97.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 73.519999999999996 112.501 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -139.9 137.88 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 74.340000000000003 111.114 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.0 mt -116.1 144.25 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 73.430000000000007 110.97 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -91.55 -29.96 16.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 110.947 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.31 158.09 13.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.878 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.9 131.2 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 73.400000000000006 111.077 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.31 157.53 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 75.439999999999998 111.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.36 152.52 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 111.066 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 74.340000000000003 110.823 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.829 0.347 . . . . 72.0 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.65 -25.18 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.26 -8.51 5.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.72 . . . . 53.219999999999999 112.493 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.5 p -140.63 141.99 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 73.340000000000003 111.221 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.62 170.22 9.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 71.25 111.067 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.47 114.88 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.904 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -129.41 131.51 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 75.099999999999994 111.099 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -95.84 121.85 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 62.409999999999997 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -85.52 137.51 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 74.530000000000001 110.89 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -67.77 -16.39 64.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 71.329999999999998 110.981 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.8 148.35 42.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 75.450000000000003 110.788 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -32.8 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.099999999999994 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 -63.38 1.29 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.340000000000003 111.122 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -53.55 -27.82 28.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 72.219999999999999 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.23 -59.49 2.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 54.420000000000002 111.088 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.23 -42.97 78.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 72.439999999999998 110.865 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -64.55 -47.19 79.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 62.119999999999997 110.921 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.35 -61.11 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 73.439999999999998 111.119 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -34.28 52.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 62.229999999999997 110.901 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -77.78 -27.67 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.129999999999995 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.37 -10.88 44.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 65.409999999999997 110.956 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -107.95 -40.87 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 74.219999999999999 110.905 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.14 112.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 74.549999999999997 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.42 5.51 34.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 43.409999999999997 112.498 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.4 t -85.5 112.66 45.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 72.510000000000005 111.121 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 130.42 19.22 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.637 2.225 . . . . 72.010000000000005 112.381 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 tp -127.6 97.72 4.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 75.400000000000006 110.975 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.5 t0 51.36 36.61 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.510000000000005 110.894 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.8 20.55 36.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 55.020000000000003 112.476 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 96.12 7.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 73.530000000000001 110.911 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 71.450000000000003 112.354 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.79 146.03 53.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.804 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -136.54 107.55 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.14 135.72 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 73.420000000000002 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.89 115.47 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 72.109999999999999 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.73 122.36 22.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 72.109999999999999 110.952 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 71.400000000000006 111.092 179.823 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 57.8 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.903 0.382 . . . . 74.319999999999993 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.34 -30.85 42.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 74.519999999999996 111.124 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -52.62 44.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 65.519999999999996 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -55.58 -37.34 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 75.400000000000006 110.874 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 89.5 t -67.81 -60.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.329999999999998 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -56.32 -30.25 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.219999999999999 110.816 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.59 -43.82 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 75.540000000000006 110.927 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 72.030000000000001 111.095 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 64.209999999999994 111.135 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.448 -0.261 . . . . 72.439999999999998 112.448 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.58 176.0 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 74.5 111.068 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -111.87 113.52 25.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 74.239999999999995 110.907 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.48 118.49 33.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.129999999999995 110.93 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.4 tp -97.41 108.18 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.420000000000002 110.901 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.7 t -91.24 145.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 111.116 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -150.58 164.57 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.5 110.866 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t30 63.7 36.2 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 110.941 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.94 159.34 15.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.099999999999994 110.893 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -54.77 177.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.871 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.621 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 37.0 m-85 -91.89 -10.08 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 75.430000000000007 110.94 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.42 -19.07 62.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 71.219999999999999 112.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.9 p -50.2 147.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 75.409999999999997 111.163 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -149.57 166.04 30.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.349999999999994 110.882 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.43 -59.1 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 70.519999999999996 110.858 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.54 81.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 111.061 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -61.01 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 72.209999999999994 110.821 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.43 -33.47 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.140000000000001 111.095 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -61.27 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 75.040000000000006 110.864 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -62.23 -47.45 84.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.439999999999998 110.86 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.17 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 110.908 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -59.42 -28.79 67.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.219999999999999 110.86 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.56 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.030000000000001 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.71 -30.42 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.817 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 22.4 m-85 -67.26 -52.18 43.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.837 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.93 -99.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 75.129999999999995 112.51 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -138.97 136.37 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 73.319999999999993 111.145 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.9 mt -112.77 146.5 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.140000000000001 110.918 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -31.99 11.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.94 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -158.21 153.57 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 74.510000000000005 110.865 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.69 127.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 74.420000000000002 111.09 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.47 157.49 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 43.399999999999999 111.119 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.3 p -125.49 152.58 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.099999999999994 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 65.519999999999996 110.891 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.896 0.379 . . . . 74.430000000000007 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.15 -24.64 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.96 5.74 7.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 61.25 112.513 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.3 p -143.23 141.95 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 64.319999999999993 111.191 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -128.64 164.35 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 75.409999999999997 111.07 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -138.65 109.51 6.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.209999999999994 110.879 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.96 128.95 72.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.030000000000001 111.168 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -94.6 121.45 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.349999999999994 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -80.17 146.02 32.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.140000000000001 110.853 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.76 -15.6 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 73.409999999999997 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 144.71 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.030000000000001 110.849 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -32.47 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.319999999999993 110.835 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.65 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 74.120000000000005 111.024 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.05 -28.28 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.25 -50.94 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.209999999999994 111.08 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.27 -43.31 86.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.420000000000002 110.882 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -46.22 83.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.933 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -62.33 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 74.310000000000002 111.14 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.91 -32.67 46.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 73.319999999999993 110.942 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -77.06 -29.8 55.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 73.420000000000002 110.876 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -10.86 45.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 72.120000000000005 110.869 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -105.66 -43.77 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 74.239999999999995 110.878 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -50.97 112.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 75.049999999999997 110.891 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.02 0.65 31.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 72.349999999999994 112.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -81.78 113.1 40.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 73.109999999999999 111.177 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 130.1 18.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 60.009999999999998 112.358 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.9 tp -127.16 97.85 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.299999999999997 110.911 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.35 35.62 20.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 75.120000000000005 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.91 38.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 74.319999999999993 112.448 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.1 96.57 7.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 73.439999999999998 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.02 4.38 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.699 2.266 . . . . 72.030000000000001 112.34 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mtp -61.06 145.59 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.530000000000001 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -132.89 109.75 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 72.109999999999999 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.26 135.36 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 73.239999999999995 111.137 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.72 115.56 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.530000000000001 110.872 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 25.8 tp -71.78 124.85 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 74.120000000000005 110.88 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 74.420000000000002 111.149 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 68.3 t90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.35 . . . . 73.209999999999994 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.01 -35.85 59.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 72.310000000000002 111.06 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -55.9 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 65.019999999999996 110.836 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -51.2 -44.57 61.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 62.4 t -62.63 -45.0 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 73.439999999999998 111.168 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -60.14 -37.53 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 70.5 110.828 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -70.51 -43.73 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.66 96.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 62.210000000000001 111.092 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 65.239999999999995 111.046 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.506 -0.237 . . . . 73.409999999999997 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.85 154.05 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 72.219999999999999 111.104 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -93.89 112.47 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 110.914 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mp -96.79 139.25 33.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.854 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.0 tp -118.15 115.41 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.010000000000005 110.906 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 145.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 73.120000000000005 111.154 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m -148.22 158.64 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.319999999999993 110.911 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.73 45.54 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 75.109999999999999 110.974 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.16 160.79 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 72.209999999999994 110.976 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.11 177.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.219999999999999 110.829 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.67 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 42.4 m-85 -92.57 -14.38 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.519999999999996 110.899 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.52 -15.36 76.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 74.25 112.482 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.5 p -50.51 146.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 65.25 111.111 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -150.19 166.26 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 110.853 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.6 -59.67 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.310000000000002 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.52 77.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 111.144 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -60.42 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 74.219999999999999 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.5 pt -61.0 -28.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 73.549999999999997 111.149 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -60.63 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.140000000000001 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.2 -47.16 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 65.5 110.901 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.29 -66.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.349999999999994 110.894 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.93 -29.56 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 75.209999999999994 110.919 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.23 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.019999999999996 111.091 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -30.53 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.150000000000006 110.904 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.658 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 25.3 m-85 -69.55 -51.35 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 71.329999999999998 110.847 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.61 -104.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 71.040000000000006 112.464 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 m -130.39 145.43 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 74.430000000000007 111.107 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.4 mt -124.8 147.32 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.210000000000001 110.883 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -101.49 -26.83 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 110.912 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.08 151.12 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.907 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.37 107.0 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 70.349999999999994 111.083 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.68 157.23 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 73.230000000000004 111.148 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -127.31 149.39 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 111.127 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 71.310000000000002 110.909 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.921 0.391 . . . . 73.140000000000001 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.82 -24.6 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.349999999999994 110.936 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.98 -15.62 5.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.676 -0.773 . . . . 42.219999999999999 112.491 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.9 p -134.84 142.18 46.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 75.310000000000002 111.12 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.79 169.77 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 111.06 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.0 114.97 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.874 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.7 t -120.47 125.51 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 74.5 111.094 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.03 114.07 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.883 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -84.84 146.82 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 110.889 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -83.17 -15.31 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.420000000000002 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.92 142.97 42.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 64.430000000000007 110.871 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -75.11 -43.94 49.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.859 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 111.15 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.64 -35.17 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.864 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.28 95.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 111.108 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.77 -46.39 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 74.099999999999994 110.91 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -64.07 -40.5 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.049999999999997 110.903 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.07 -61.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.075 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -33.05 60.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.040000000000006 110.828 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -78.87 -28.22 44.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 74.230000000000004 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.93 -11.03 45.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 74.340000000000003 110.919 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -107.05 -43.81 4.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 71.530000000000001 110.944 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -50.08 112.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 70.239999999999995 110.911 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.09 4.52 33.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 73.430000000000007 112.464 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.5 t -86.22 112.47 46.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 75.319999999999993 111.128 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.63 17.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.239 . . . . 63.310000000000002 112.378 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.8 tp -124.95 97.81 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.510000000000005 110.929 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 51.42 35.23 13.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 75.420000000000002 110.862 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.68 20.01 32.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 72.530000000000001 112.543 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.97 95.19 7.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 74.329999999999998 110.819 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.05 4.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 71.430000000000007 112.321 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.7 mtp -63.6 146.74 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 74.030000000000001 110.828 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -135.5 108.88 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 55.009999999999998 110.901 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.62 135.5 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 111.108 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.65 114.36 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.120000000000005 110.937 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 tt -74.48 131.28 40.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.409999999999997 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 73.0 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 62.310000000000002 111.146 179.834 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 65.5 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.727 0.298 . . . . 73.200000000000003 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.52 -25.17 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 54.020000000000003 111.103 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -69.31 -55.63 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 73.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -50.65 -49.38 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.450000000000003 110.872 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.8 -37.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.450000000000003 111.11 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -58.98 -40.14 83.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 70.409999999999997 110.856 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.2 -42.24 56.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.510000000000005 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.87 -44.78 78.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 64.319999999999993 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 72.420000000000002 111.1 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.523 -0.231 . . . . 73.200000000000003 112.523 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.98 152.64 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 74.109999999999999 111.085 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -86.8 122.71 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.109999999999999 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.18 121.41 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.049999999999997 110.872 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 tp -98.51 126.05 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 72.209999999999994 110.875 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.19 142.79 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 111.092 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m -149.1 161.57 41.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.862 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.89 45.06 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 75.319999999999993 110.906 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.36 159.35 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 72.219999999999999 110.962 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.61 177.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 110.805 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.63 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 34.3 m-85 -93.78 -5.31 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 73.349999999999994 110.917 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.01 -15.09 56.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 71.510000000000005 112.518 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.1 p -49.11 146.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 74.409999999999997 111.177 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.64 159.44 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 110.794 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.57 -49.82 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 71.420000000000002 110.82 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.49 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 50.229999999999997 111.101 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -52.04 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.1 pt -67.01 -37.73 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.142 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -60.23 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 110.938 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -47.45 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 74.230000000000004 110.83 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.74 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.847 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -57.43 -29.98 64.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.878 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.23 72.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 75.019999999999996 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.81 -30.67 34.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.420000000000002 110.943 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.654 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 21.6 m-85 -68.33 -52.03 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 75.099999999999994 110.885 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.51 -99.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.805 -0.712 . . . . 70.219999999999999 112.52 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -142.88 134.3 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 74.230000000000004 111.113 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.2 mt -109.86 149.58 29.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 72.340000000000003 110.892 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -103.2 -27.42 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 75.400000000000006 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 154.7 26.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 73.049999999999997 110.918 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.35 129.48 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.310000000000002 111.152 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.99 157.35 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 72.239999999999995 111.125 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.77 149.5 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.869 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.912 0.387 . . . . 75.200000000000003 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.74 -25.26 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.299999999999997 110.898 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.78 -1.01 7.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 72.340000000000003 112.427 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.7 p -142.56 142.07 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 71.319999999999993 111.145 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -124.61 169.84 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 74.030000000000001 111.051 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.03 125.4 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 60.140000000000001 110.807 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.28 142.13 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 71.219999999999999 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -95.1 126.98 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 71.420000000000002 110.812 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -93.52 139.42 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 74.239999999999995 110.823 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.82 -24.97 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 71.400000000000006 110.88 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.2 142.07 47.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 72.239999999999995 110.948 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.26 62.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.310000000000002 110.893 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -63.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.200000000000003 111.118 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.37 -34.02 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.842 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.53 -45.77 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 111.134 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.64 -49.5 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.099999999999994 110.874 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.98 -41.17 97.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.219999999999999 110.913 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.43 -62.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 64.209999999999994 111.102 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -31.74 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.200000000000003 110.906 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -77.23 -29.76 54.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 65.310000000000002 110.951 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -89.65 -12.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -103.89 -42.43 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -50.77 112.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.811 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 2.64 31.04 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 61.43 112.51 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -83.15 112.64 40.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 74.349999999999994 111.079 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 132.16 22.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.653 2.235 . . . . 74.409999999999997 112.352 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.85 98.22 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.903 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.9 t0 54.3 38.04 28.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 65.439999999999998 110.85 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.98 21.04 51.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.400000000000006 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -140.9 95.5 7.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 75.239999999999995 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 115.77 4.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 74.420000000000002 112.354 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.8 mtp -60.1 147.39 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.0 107.63 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 64.549999999999997 110.843 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.0 mp -109.27 140.61 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 111.172 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.69 127.38 48.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.873 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.97 117.08 25.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.549999999999997 110.957 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 55.6 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.108 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 60.1 t90 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.794 0.331 . . . . 74.019999999999996 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.23 -31.92 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 74.319999999999993 111.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.79 -58.89 5.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 62.109999999999999 110.824 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -51.01 -34.07 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.310000000000002 110.841 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.58 -60.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 111.14 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -57.26 -24.79 57.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.299999999999997 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.49 -46.1 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.82 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.9 72.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 71.439999999999998 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 111.123 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.509 -0.236 . . . . 64.310000000000002 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.66 164.47 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 74.120000000000005 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -100.56 113.88 27.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.519999999999996 110.843 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -97.78 129.17 44.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 71.420000000000002 110.879 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.5 tp -109.48 126.21 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.510000000000005 110.903 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.7 t -103.65 146.47 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.420000000000002 111.18 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 p -149.92 158.85 44.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t30 64.44 44.32 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.450000000000003 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.44 159.5 16.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 74.140000000000001 110.919 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -55.25 177.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 75.340000000000003 110.835 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 43.0 p90 -93.13 -10.99 33.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 74.439999999999998 110.903 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.05 -17.02 66.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 74.120000000000005 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.6 p -49.57 146.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 65.430000000000007 111.145 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.45 165.29 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 64.319999999999993 110.914 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.62 -60.03 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 110.888 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.91 76.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.109999999999999 111.097 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 72.340000000000003 110.871 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.7 pt -61.66 -28.98 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 111.11 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -60.79 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 72.099999999999994 110.95 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.4 -47.27 86.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 65.430000000000007 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 71.400000000000006 110.897 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -57.76 -29.36 64.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.886 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.42 70.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 111.092 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -30.08 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.659 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 21.4 m-85 -69.98 -49.61 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 64.200000000000003 110.842 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.09 -106.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 70.310000000000002 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -129.91 143.55 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 70.329999999999998 111.158 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.6 mt -122.46 147.75 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.310000000000002 110.926 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -28.01 11.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.019999999999996 110.864 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -156.99 149.03 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 73.230000000000004 110.921 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.38 112.16 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 65.409999999999997 111.096 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.31 156.26 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.16 149.66 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 75.209999999999994 111.062 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 53.100000000000001 110.845 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.909 0.385 . . . . 41.43 110.816 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.98 -27.8 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 75.209999999999994 110.934 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.43 -11.03 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.788 -0.72 . . . . 71.299999999999997 112.504 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 52.3 p -140.72 141.84 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 54.340000000000003 111.119 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -121.76 166.3 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 71.439999999999998 111.124 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -127.43 131.5 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 72.349999999999994 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.45 125.03 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 74.200000000000003 111.081 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -95.19 119.44 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 110.817 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -90.1 145.33 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.549999999999997 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -79.87 -15.73 56.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 70.530000000000001 110.909 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.71 136.38 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 75.239999999999995 110.875 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -31.22 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.530000000000001 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.02 -64.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.040000000000006 111.085 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.68 -34.53 59.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 62.020000000000003 110.777 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.73 -60.17 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 73.030000000000001 111.08 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.75 -51.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.5 110.943 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.4 -43.16 98.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 74.010000000000005 110.882 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.7 -61.66 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 72.420000000000002 111.128 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -59.79 -29.64 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.540000000000006 110.913 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -74.46 -30.19 61.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -17.29 26.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.975 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -96.22 -43.91 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.913 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -49.64 112.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 75.420000000000002 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.24 3.24 29.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 72.030000000000001 112.486 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.8 t -85.02 112.75 45.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 72.25 111.135 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 129.42 17.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 72.439999999999998 112.304 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.08 97.94 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 73.219999999999999 110.912 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.25 33.96 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 53.200000000000003 110.928 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.43 19.75 31.71 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.652 -0.785 . . . . 41.32 112.431 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -141.11 98.66 6.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 71.450000000000003 110.9 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.23 4.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.252 . . . . 71.299999999999997 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -62.96 143.08 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 72.310000000000002 110.863 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -132.38 108.27 9.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.140000000000001 110.859 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.64 144.53 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 111.152 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.98 144.42 48.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 71.310000000000002 110.862 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.15 130.61 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 71.519999999999996 110.915 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.120000000000005 111.137 179.807 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 64.2 t90 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.819 0.342 . . . . 75.430000000000007 110.918 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.51 -22.76 50.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 111.118 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -56.86 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.239999999999995 110.88 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -50.06 -49.0 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 64.5 110.815 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 p -66.8 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 111.174 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -66.4 -40.33 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 74.230000000000004 110.816 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.54 -28.69 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 110.91 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.68 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 72.120000000000005 111.115 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 75.150000000000006 111.095 179.917 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.565 -0.214 . . . . 74.310000000000002 112.565 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.58 167.42 21.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 72.430000000000007 111.086 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -104.89 113.53 27.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.59 140.31 29.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.874 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.06 109.38 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.129999999999995 110.929 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 72.319999999999993 111.147 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -146.39 158.52 43.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 65.109999999999999 110.858 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.77 44.95 4.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 74.319999999999993 110.922 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.95 161.68 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.219999999999999 110.895 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.81 177.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 63.350000000000001 110.866 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -96.88 5.98 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 73.409999999999997 110.838 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.95 -4.81 44.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 73.209999999999994 112.535 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.8 t -51.54 147.76 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.342 . . . . 65.439999999999998 111.146 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.34 160.21 43.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 110.893 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -56.04 10.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 74.310000000000002 110.902 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.35 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.140000000000001 111.153 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -54.49 45.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 74.340000000000003 110.872 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.7 pt -67.29 -31.39 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.149 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -61.38 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 74.519999999999996 110.947 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.0 -47.62 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 71.219999999999999 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.23 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 75.040000000000006 110.891 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -59.52 -27.6 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.319999999999993 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.3 71.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 111.078 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.73 -30.58 56.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 65.209999999999994 110.877 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 20.1 m-85 -68.74 -51.05 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 73.430000000000007 110.823 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.56 -100.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 73.099999999999994 112.426 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -134.7 143.75 47.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 65.209999999999994 111.128 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.0 mt -120.23 144.65 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 73.439999999999998 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -99.7 -27.01 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 74.120000000000005 110.928 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 157.85 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 110.847 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.23 131.76 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 65.510000000000005 111.088 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.55 154.45 42.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 71.5 111.08 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.77 139.88 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 73.25 111.101 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 74.510000000000005 110.971 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.917 0.389 . . . . 74.340000000000003 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.84 -20.91 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.200000000000003 110.918 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.06 -15.83 6.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.671 -0.776 . . . . 71.430000000000007 112.56 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.4 p -137.14 141.91 42.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 71.319999999999993 111.16 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -126.82 168.12 14.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 70.230000000000004 111.073 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.29 125.64 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 44.109999999999999 110.867 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.1 t -128.13 131.2 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 62.109999999999999 111.102 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -96.59 114.18 25.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 74.430000000000007 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -86.99 140.82 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 72.420000000000002 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.92 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 63.219999999999999 110.833 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 146.07 49.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -74.68 -35.4 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 75.140000000000001 110.824 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.98 -63.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 75.519999999999996 111.149 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.11 -28.08 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 74.340000000000003 110.912 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.59 -45.68 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 111.049 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.62 -44.51 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 110.927 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -64.53 -45.27 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 74.409999999999997 110.913 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.86 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 111.181 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -34.28 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 73.430000000000007 110.859 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -78.12 -27.68 48.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -10.97 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.200000000000003 110.94 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -107.87 -42.42 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 110.915 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -50.94 112.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 74.319999999999993 110.93 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.68 2.87 34.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 74.310000000000002 112.515 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -85.14 112.81 46.24 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 121.597 0.713 . . . . 72.340000000000003 111.115 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 129.91 18.38 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.737 2.291 . . . . 73.299999999999997 112.276 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.8 tp -125.4 97.92 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 110.846 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.3 t70 51.75 35.33 14.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 110.822 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.21 20.13 33.81 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 45.009999999999998 112.498 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -141.21 95.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.571 0.701 . . . . 65.049999999999997 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 116.12 4.4 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.684 2.256 . . . . 75.049999999999997 112.4 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.8 mtp -64.37 149.01 49.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 75.299999999999997 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -138.44 107.53 6.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.420000000000002 110.89 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.55 132.52 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.540000000000006 111.169 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.87 115.94 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.5 tt -76.89 127.14 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 73.230000000000004 110.933 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 75.540000000000006 111.09 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 66.7 t90 . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.771 0.32 . . . . 74.430000000000007 110.936 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.11 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 65.140000000000001 111.086 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -54.22 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 54.219999999999999 110.898 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -52.03 -38.82 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 74.420000000000002 110.812 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 72.3 t -70.18 -56.1 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 111.187 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -54.0 -32.92 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 64.109999999999999 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.79 -41.65 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.239999999999995 111.157 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 111.09 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.512 -0.235 . . . . 54.439999999999998 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.07 177.02 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 63.539999999999999 111.016 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -108.94 113.99 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.209999999999994 110.906 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.44 121.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.230000000000004 110.92 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.92 114.56 28.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.46 137.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 75.120000000000005 111.163 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.6 p -141.14 158.2 44.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 63.409999999999997 110.825 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.72 49.5 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.209999999999994 110.894 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.89 160.73 17.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.340000000000003 110.961 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -53.43 174.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.893 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.595 ' HE2' ' CE1' ' A' ' 84' ' ' PHE . 65.1 m-85 -92.39 8.59 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 75.200000000000003 110.918 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.97 -13.9 18.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.756 -0.735 . . . . 75.030000000000001 112.517 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -50.33 148.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 73.549999999999997 111.103 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.71 166.78 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.319999999999993 110.875 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -58.76 5.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.409999999999997 110.921 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.71 77.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.019999999999996 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.0 -61.37 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.7 pt -59.98 -30.58 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.040000000000006 111.126 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -61.13 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 60.340000000000003 110.926 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.61 -47.84 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.815 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 65.349999999999994 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -58.41 -29.68 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 74.340000000000003 110.881 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.96 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 70.099999999999994 111.076 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -54.42 -31.42 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.030000000000001 110.939 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.654 ' HE1' ' CE2' ' A' ' 98' ' ' PHE . 21.5 m-85 -67.15 -51.48 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.510000000000005 110.887 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.54 -100.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.716 . . . . 72.340000000000003 112.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.5 m -143.05 132.64 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 63.219999999999999 111.143 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.3 mt -108.47 158.21 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -110.19 -35.34 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.129999999999995 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 151.1 32.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.99 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 120' ' ' VAL . . . -155.7 128.59 8.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 111.109 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.18 157.2 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 65.439999999999998 111.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.52 152.69 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 71.109999999999999 111.13 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 73.310000000000002 110.819 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.873 0.368 . . . . 75.540000000000006 110.814 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.2 -25.6 59.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.439999999999998 110.958 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 131.91 -8.16 5.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 71.510000000000005 112.466 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.4 p -143.57 142.08 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 73.340000000000003 111.165 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -117.09 169.72 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 63.32 111.081 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -139.86 108.47 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 75.200000000000003 110.88 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -124.4 131.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 70.420000000000002 111.19 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.56 119.24 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 71.25 110.836 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.98 151.11 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 72.340000000000003 110.886 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.24 -19.03 51.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.239999999999995 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 145.07 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 75.349999999999994 110.865 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -70.12 -36.78 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 75.109999999999999 110.849 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.87 -64.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 111.092 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.94 -31.64 63.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 110.864 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.67 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 111.149 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.36 -48.37 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.450000000000003 110.924 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -62.88 -42.38 99.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.200000000000003 110.824 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.46 -61.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 74.099999999999994 111.092 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -32.53 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 75.099999999999994 110.876 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -80.56 -28.01 37.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.93 -10.18 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.140000000000001 110.836 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -108.88 -43.36 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.140000000000001 110.948 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -49.56 112.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 65.510000000000005 110.925 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 106.73 4.5 36.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 71.129999999999995 112.475 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.6 t -86.26 112.33 45.19 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.676 0.75 . . . . 73.439999999999998 111.088 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 129.55 17.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.686 2.257 . . . . 74.219999999999999 112.365 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.8 tp -124.5 97.98 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.519999999999996 110.898 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 52.41 33.72 13.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 74.239999999999995 110.854 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.02 19.82 29.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 74.010000000000005 112.49 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.15 97.94 6.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 75.400000000000006 110.93 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 74.230000000000004 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.29 144.04 56.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 74.329999999999998 110.835 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -133.82 111.33 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 74.120000000000005 110.841 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.73 137.42 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.430000000000007 111.084 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.49 115.78 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 73.109999999999999 110.85 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -75.57 114.42 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.099999999999994 110.93 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 111.141 179.841 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 61.9 t90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.826 0.345 . . . . 75.200000000000003 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.94 -22.69 36.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 75.019999999999996 111.097 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.68 -57.16 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 74.040000000000006 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.46 -49.5 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.856 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.86 -36.45 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 111.14 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -58.35 -41.95 85.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.937 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.2 -41.94 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 75.109999999999999 110.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.8 73.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 71.530000000000001 111.113 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 54.119999999999997 111.121 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.519 -0.232 . . . . 65.549999999999997 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.58 169.35 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 72.129999999999995 111.106 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -110.06 113.26 25.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 73.400000000000006 110.921 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.87 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 74.409999999999997 110.945 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 tp -120.69 110.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 72.439999999999998 110.939 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.0 t -90.54 144.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.4 p -149.02 156.6 42.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.791 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 64.51 47.04 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 75.230000000000004 110.959 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.37 163.48 13.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.886 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -54.2 176.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 74.219999999999999 110.837 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -96.11 6.4 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.78 -1.06 36.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 75.120000000000005 112.495 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.7 t -53.89 147.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 74.540000000000006 111.14 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.36 158.9 44.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 62.219999999999999 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -57.47 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.519999999999996 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.61 78.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 74.140000000000001 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -56.81 17.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 75.329999999999998 110.894 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.2 pt -66.18 -29.83 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 111.133 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.66 -60.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.409999999999997 110.923 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.24 -47.1 87.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.129999999999995 110.922 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -66.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 110.936 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -59.26 -29.64 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.340000000000003 110.83 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.78 71.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 61.32 111.159 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.82 -32.18 60.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 24.1 m-85 -67.17 -50.42 61.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.887 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.86 -103.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 74.430000000000007 112.486 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -130.81 146.93 52.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 75.409999999999997 111.18 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.2 mt -125.93 142.56 51.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 72.019999999999996 110.95 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.46 -28.42 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.87 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 16.9 tptp -163.39 155.45 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 72.030000000000001 110.937 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.81 115.65 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 62.020000000000003 111.134 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.57 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.439999999999998 111.049 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.7 p -131.62 145.61 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.430000000000007 111.141 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.872 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.914 0.387 . . . . 74.140000000000001 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.4 -30.12 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 70.319999999999993 110.938 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.39 -15.6 3.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.679 -0.772 . . . . 72.230000000000004 112.43 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.4 p -139.88 141.4 36.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 72.040000000000006 111.139 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.51 167.9 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 74.150000000000006 111.146 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -132.39 123.98 27.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 64.349999999999994 110.875 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.3 t -133.03 127.5 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 74.219999999999999 111.134 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 13.8 m-70 -95.75 118.58 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 72.25 110.825 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -87.7 136.46 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 110.832 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.15 -15.6 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 74.150000000000006 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.05 145.12 35.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 75.530000000000001 110.856 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -31.85 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 75.120000000000005 110.879 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.19 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.450000000000003 111.024 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.21 -24.89 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 75.310000000000002 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.62 -50.27 46.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.030000000000001 111.076 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.24 -42.17 84.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 70.219999999999999 110.927 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -65.0 -44.8 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 75.049999999999997 110.899 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.98 -61.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 65.209999999999994 111.106 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -34.48 50.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 73.510000000000005 110.879 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.96 -27.8 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 73.510000000000005 110.943 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -10.77 45.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 70.340000000000003 110.947 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -107.52 -43.87 4.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 74.219999999999999 110.931 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -49.9 112.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.319999999999993 110.889 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.81 3.49 34.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 63.100000000000001 112.477 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.8 t -86.14 112.63 47.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.489 0.662 . . . . 73.430000000000007 111.13 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 129.68 18.03 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.65 2.234 . . . . 74.420000000000002 112.384 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.9 tp -124.06 97.69 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.019999999999996 110.887 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 51.72 34.29 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 71.430000000000007 110.902 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.88 19.7 30.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 73.439999999999998 112.512 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.19 96.17 7.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.681 0.753 . . . . 74.409999999999997 110.876 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.251 . . . . 73.219999999999999 112.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mtp -65.14 145.98 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 110.878 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -134.99 110.1 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 72.239999999999995 110.912 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -107.45 134.97 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 115.69 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.876 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.4 tt -76.67 126.78 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.914 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 111.157 179.836 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 56.8 t90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.771 0.32 . . . . 73.349999999999994 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.26 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 72.040000000000006 111.103 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.96 -56.97 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.140000000000001 110.805 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -49.49 -49.58 45.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 73.140000000000001 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.77 -36.92 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 74.519999999999996 111.122 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -58.22 -41.61 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.030000000000001 110.834 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -76.49 -41.75 45.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.49 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.239999999999995 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.219999999999999 111.164 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.416 -0.273 . . . . 50.329999999999998 112.416 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.56 169.89 18.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 71.200000000000003 111.091 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -110.33 114.05 27.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 71.140000000000001 110.852 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.51 140.6 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 110.934 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 tp -120.79 110.82 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.150000000000006 110.964 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -90.55 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 111.157 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m -145.75 154.99 42.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 70.329999999999998 110.812 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 t30 65.21 44.78 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 74.109999999999999 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.49 156.75 18.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 73.439999999999998 110.909 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.76 175.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 110.843 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.655 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 1.6 t80 -87.16 -26.99 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.030000000000001 110.894 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.76 65.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 53.439999999999998 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.24 145.6 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 74.200000000000003 111.137 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -149.98 167.09 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.219999999999999 110.833 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -60.06 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 74.230000000000004 110.916 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.99 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.510000000000005 111.07 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -58.98 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 55.350000000000001 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.9 pt -62.37 -29.0 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 64.340000000000003 111.179 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -60.68 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 71.340000000000003 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.35 -47.29 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.010000000000005 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -65.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 75.030000000000001 110.916 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -58.83 -27.95 65.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 110.932 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.65 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 73.409999999999997 111.129 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -53.53 -30.39 41.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 22.5 m-85 -69.02 -51.77 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 62.43 110.89 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.21 -109.39 0.27 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.728 -0.749 . . . . 72.120000000000005 112.49 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.2 m -132.05 132.4 43.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 73.519999999999996 111.092 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.6 mt -111.77 152.39 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -107.96 -32.4 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 72.109999999999999 110.9 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 6.1 tptt -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 110.885 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.99 120.77 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.209999999999994 111.12 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.75 45.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 70.299999999999997 111.028 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.59 140.7 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 111.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 64.549999999999997 110.806 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.889 0.376 . . . . 74.109999999999999 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.2 mt -55.18 -26.71 40.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 74.219999999999999 110.893 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 -6.12 7.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 64.230000000000004 112.464 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.0 p -140.05 142.02 36.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 61.32 111.191 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -121.97 164.15 18.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 53.420000000000002 111.127 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -130.02 121.51 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 62.039999999999999 110.808 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.6 t -130.99 125.22 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.420000000000002 111.145 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 10.1 m-70 -94.94 113.98 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 75.340000000000003 110.856 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -82.6 149.1 27.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.92 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -78.01 -15.59 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 64.049999999999997 110.971 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 147.42 39.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 74.519999999999996 110.898 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -74.67 -35.19 62.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 73.25 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.65 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.140000000000001 111.173 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -53.45 -28.39 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.838 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.96 -44.03 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 70.310000000000002 111.086 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.4 -45.64 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.219999999999999 110.931 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -64.7 -45.54 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.935 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.96 -61.64 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 35.229999999999997 111.101 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.67 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 74.200000000000003 110.821 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -78.19 -27.34 47.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 75.439999999999998 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.84 -10.87 43.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 75.540000000000006 110.948 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -108.04 -44.15 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.915 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -49.99 112.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 75.010000000000005 110.894 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.28 3.63 35.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 63.310000000000002 112.518 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.3 t -86.31 112.48 46.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 73.439999999999998 111.03 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.19 20.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 74.519999999999996 112.386 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.4 tp -127.18 97.73 5.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.91 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.5 36.52 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 74.239999999999995 110.854 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.52 20.23 38.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.340000000000003 112.535 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 4.6 mmp_? -141.11 94.84 7.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 71.519999999999996 110.894 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 143' ' ' ARG . 53.8 Cg_endo -69.66 116.34 4.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.310000000000002 112.389 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.12 145.17 56.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 75.319999999999993 110.878 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -135.45 111.55 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.409999999999997 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.83 142.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 75.150000000000006 111.138 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.85 118.46 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.310000000000002 110.944 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -79.98 116.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 75.109999999999999 110.932 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.519999999999996 111.109 179.808 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 66.8 t90 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.73 0.3 . . . . 74.239999999999995 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.35 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 71.310000000000002 111.077 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.39 -54.66 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.510000000000005 110.818 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -51.39 -39.1 56.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.310000000000002 110.904 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 62.3 t -69.67 -46.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 111.112 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -58.17 -34.81 70.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 74.040000000000006 110.964 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -76.4 -47.27 23.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.936 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 71.099999999999994 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 51.240000000000002 111.123 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.245 . . . . 72.510000000000005 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.63 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 72.549999999999997 111.054 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -111.47 113.61 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 65.129999999999995 110.912 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.99 122.05 39.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 73.120000000000005 110.923 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.92 116.72 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.867 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.7 t -95.63 137.15 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 65.219999999999999 111.159 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.7 p -140.9 155.93 46.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 65.209999999999994 110.837 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t30 64.12 49.44 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 72.319999999999993 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.38 159.56 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.933 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -52.03 171.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.855 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -90.36 7.33 39.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.409999999999997 110.941 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.63 -14.27 22.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.655 -0.783 . . . . 71.319999999999993 112.502 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.3 p -49.72 147.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 74.150000000000006 111.153 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -149.67 164.62 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 74.400000000000006 110.824 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -59.23 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 61.210000000000001 110.873 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.96 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.519999999999996 111.074 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 110.857 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.7 pt -61.43 -32.31 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.040000000000006 111.088 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -60.99 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.519999999999996 110.867 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.66 -47.82 83.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 73.540000000000006 110.832 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.68 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.120000000000005 110.924 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -59.4 -28.07 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 64.129999999999995 110.9 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.13 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.010000000000005 111.193 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -30.55 43.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.928 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 20.8 m-85 -67.34 -52.4 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.219999999999999 110.838 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.48 -108.86 0.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.834 -0.698 . . . . 65.209999999999994 112.519 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -133.21 124.4 27.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 54.119999999999997 111.115 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.6 mt -99.89 158.29 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.949 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -113.01 -36.23 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.858 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 143.5 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.932 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.71 121.39 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 70.099999999999994 111.112 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.14 44.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 74.549999999999997 111.123 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -125.26 151.61 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.209999999999994 111.119 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 110.858 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.888 0.375 . . . . 62.329999999999998 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.0 mt -72.09 -19.98 61.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.935 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.2 -13.52 8.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 71.239999999999995 112.553 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -139.68 141.82 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 53.350000000000001 111.072 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -115.46 169.25 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 111.147 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.08 107.91 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.420000000000002 110.826 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.34 127.1 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 54.549999999999997 111.146 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -95.54 122.87 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.430000000000007 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -81.61 149.7 28.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.439999999999998 110.908 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -75.62 -18.51 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.109999999999999 110.919 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.22 144.05 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 75.409999999999997 110.846 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -33.51 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.200000000000003 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.19 -64.22 0.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 74.030000000000001 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.49 -26.2 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 70.430000000000007 110.837 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.88 -49.11 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 73.540000000000006 111.08 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.47 -42.06 83.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 71.340000000000003 110.924 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -65.78 -47.33 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 73.129999999999995 110.882 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.92 -61.1 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 111.082 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 74.510000000000005 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -77.42 -26.85 52.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 75.209999999999994 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.34 -12.71 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 72.510000000000005 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -105.92 -44.02 4.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 75.340000000000003 110.902 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -50.0 111.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 73.109999999999999 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.44 7.31 32.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 64.129999999999995 112.521 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.9 t -89.69 110.95 43.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 73.030000000000001 111.121 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.635 2.223 . . . . 72.200000000000003 112.337 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.9 tp -127.01 98.12 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.319999999999993 110.948 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.45 35.1 19.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 65.420000000000002 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.31 21.55 34.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 75.329999999999998 112.476 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.14 92.54 8.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.516 0.674 . . . . 73.219999999999999 110.793 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.91 4.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 64.209999999999994 112.345 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.9 mtp -66.32 145.23 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.019999999999996 110.927 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -133.96 109.16 8.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 71.230000000000004 110.924 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.03 135.2 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 75.5 111.133 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.85 115.6 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 72.239999999999995 110.966 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.1 tt -72.41 126.89 30.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 73.439999999999998 110.892 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 111.12 179.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 49.0 t90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.781 0.324 . . . . 74.239999999999995 110.929 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.58 -23.02 66.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 63.520000000000003 111.123 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.36 -48.55 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 64.510000000000005 110.845 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -51.85 -49.71 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.230000000000004 110.927 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 13.8 t -65.11 -50.25 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 111.173 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -51.65 -42.64 62.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 73.329999999999998 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.65 -51.3 28.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 74.540000000000006 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.62 -39.46 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.329999999999998 111.138 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 54.100000000000001 111.081 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.473 -0.251 . . . . 61.25 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.37 171.66 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 73.409999999999997 111.124 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -111.77 113.6 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.239999999999995 110.912 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.23 138.74 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.859 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.8 112.71 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.400000000000006 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.6 t -91.41 142.37 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 74.540000000000006 111.058 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.2 p -146.0 156.72 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 73.549999999999997 110.866 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t30 64.11 46.41 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 72.120000000000005 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.12 159.77 16.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 110.92 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.23 177.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 75.099999999999994 110.883 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.655 ' HD1' ' CD2' ' A' ' 84' ' ' PHE . 52.5 p90 -92.71 -10.87 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 73.430000000000007 110.845 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.1 -16.51 67.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 70.200000000000003 112.493 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.5 p -50.36 145.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 72.25 111.11 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -149.57 166.17 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 62.32 110.778 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -60.6 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.209999999999994 110.833 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.75 75.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 61.210000000000001 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.57 -60.77 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.409999999999997 110.857 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.9 pt -61.25 -29.05 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 111.135 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -60.89 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 72.200000000000003 110.937 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -61.42 -46.96 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 54.520000000000003 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -59.13 -28.02 66.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 73.400000000000006 110.849 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.35 71.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.439999999999998 111.074 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -53.21 -30.96 40.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.299999999999997 110.854 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.644 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 29.6 m-85 -69.44 -48.67 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 62.340000000000003 110.879 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.66 -118.72 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 74.420000000000002 112.488 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -127.8 115.4 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 74.150000000000006 111.154 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 78.6 mt -89.39 157.49 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 64.030000000000001 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.65 -34.05 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.129999999999995 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -153.31 147.63 25.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 72.230000000000004 110.844 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.87 124.0 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.540000000000006 111.081 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.49 151.99 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.329999999999998 111.079 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.64 152.18 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.349999999999994 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.140000000000001 110.808 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.899 0.38 . . . . 74.530000000000001 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -55.69 -27.63 51.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 71.420000000000002 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.73 -15.96 4.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 72.510000000000005 112.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.2 p -137.12 141.85 42.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 73.430000000000007 111.124 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.26 164.4 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 64.530000000000001 111.096 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -128.77 122.3 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 60.439999999999998 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.4 t -131.5 123.49 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 111.14 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 11.3 m-70 -94.91 114.56 26.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.140000000000001 110.787 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -82.17 150.05 27.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.827 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.53 -12.58 56.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 75.329999999999998 110.881 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.11 145.15 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.530000000000001 110.868 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -74.96 -43.78 52.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 72.450000000000003 110.894 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.39 -62.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 111.087 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -29.46 70.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 44.229999999999997 110.837 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.72 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.25 111.109 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.59 -39.85 80.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 73.409999999999997 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.49 -47.06 77.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 75.040000000000006 110.877 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.45 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.519999999999996 111.121 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -34.74 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 71.109999999999999 110.878 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -78.02 -27.48 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 110.86 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -88.96 -11.0 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.230000000000004 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -107.63 -43.87 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 74.239999999999995 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.85 112.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 75.310000000000002 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.11 0.92 29.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 72.420000000000002 112.521 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.7 t -84.02 112.84 43.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 65.409999999999997 111.151 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 131.87 22.04 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 75.420000000000002 112.372 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 tp -128.72 97.86 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.319999999999993 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 51.85 36.92 19.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.450000000000003 110.848 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.63 20.17 41.64 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 75.230000000000004 112.517 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -141.02 94.34 7.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 74.219999999999999 110.939 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.07 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.801 2.334 . . . . 73.329999999999998 112.357 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.2 mtp -63.07 144.51 56.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 72.209999999999994 110.884 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.25 109.03 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.420000000000002 110.966 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.8 135.28 44.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 75.140000000000001 111.127 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.56 115.49 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.329999999999998 110.999 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.3 tp -76.41 126.83 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 74.25 110.888 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 72.439999999999998 111.107 179.84 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 68.3 t90 . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.787 0.327 . . . . 75.209999999999994 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.42 -28.97 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 111.037 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.98 -57.03 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.439999999999998 110.876 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -51.54 -41.48 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 75.299999999999997 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.45 -50.55 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.129999999999995 111.093 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.7 -38.24 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.540000000000006 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.66 -43.1 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.13 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.239999999999995 111.038 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 63.140000000000001 111.094 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.491 -0.244 . . . . 33.420000000000002 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.84 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 75.549999999999997 111.088 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -99.26 112.59 24.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.109999999999999 110.954 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mp -92.37 133.66 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 110.936 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -109.86 117.98 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.310000000000002 110.975 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.24 143.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 70.120000000000005 111.177 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.2 p -146.44 156.93 43.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 65.219999999999999 110.873 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.05 48.1 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.349999999999994 110.883 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.85 162.74 13.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 72.209999999999994 110.94 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.26 176.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 72.200000000000003 110.841 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -95.98 7.31 46.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 65.310000000000002 110.924 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.23 -4.29 38.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 61.450000000000003 112.481 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.2 t -51.6 147.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 73.420000000000002 111.119 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.64 160.3 43.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.886 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.12 -56.58 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.65 77.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 111.102 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -55.06 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 110.85 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.9 pt -66.73 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 72.120000000000005 111.166 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 -60.68 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.81 -47.7 85.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 110.847 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.209999999999994 110.927 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -58.1 -29.17 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.239999999999995 110.846 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.209999999999994 111.066 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.49 -30.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 74.140000000000001 110.864 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.647 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 27.8 m-85 -70.73 -50.77 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.219999999999999 110.815 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.17 -114.44 0.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 62.340000000000003 112.5 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.3 m -126.36 130.1 50.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 74.129999999999995 111.094 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.5 mt -106.16 153.76 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.519999999999996 110.881 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.37 -26.01 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 110.86 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 161.42 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 73.329999999999998 110.963 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.31 132.19 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 73.310000000000002 111.051 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.94 155.21 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.125 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.2 p -132.65 147.51 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 71.420000000000002 111.117 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 75.420000000000002 110.913 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.959 0.409 . . . . 74.140000000000001 110.82 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -30.66 54.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 74.299999999999997 110.96 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.02 -15.52 3.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 73.150000000000006 112.574 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.0 p -142.1 141.42 32.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 74.150000000000006 111.135 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.83 169.61 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.340000000000003 111.099 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -133.96 122.85 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.340000000000003 110.847 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.79 140.95 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.409999999999997 111.08 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -102.96 113.57 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 65.140000000000001 110.799 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -89.39 137.13 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.530000000000001 110.906 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -73.34 -15.68 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 64.319999999999993 110.863 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 142.72 33.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 110.827 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -32.62 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.913 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.71 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.329999999999998 111.121 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.53 -34.45 50.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.319999999999993 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.2 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.109999999999999 111.067 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.63 -49.24 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.530000000000001 110.954 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.81 -38.23 79.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 73.109999999999999 110.879 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.85 -56.01 14.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 72.040000000000006 111.087 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -34.05 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.894 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -76.12 -28.55 57.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 73.409999999999997 110.891 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -16.89 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.310000000000002 110.976 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -99.16 -43.64 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 110.878 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.74 112.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 73.239999999999995 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 1.18 31.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 61.009999999999998 112.528 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.5 t -83.94 112.67 42.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 74.319999999999993 111.087 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.95 20.22 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 74.109999999999999 112.278 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -127.36 97.85 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.87 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.06 35.29 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 110.896 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 92.01 20.09 37.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.812 -0.708 . . . . 60.409999999999997 112.502 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.16 95.56 7.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.652 0.739 . . . . 75.400000000000006 110.875 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.08 4.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 75.409999999999997 112.36 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.9 mtp -63.96 146.92 53.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.150000000000006 110.903 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -135.92 110.38 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.85 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -109.32 139.73 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 72.209999999999994 111.117 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.43 115.69 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.25 136.45 53.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.109999999999999 110.902 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 75.019999999999996 111.146 179.854 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 58.3 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.784 0.326 . . . . 73.239999999999995 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.61 -22.76 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 65.040000000000006 111.132 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -56.62 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 110.863 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -49.64 -49.53 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 64.129999999999995 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.1 -36.2 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -59.11 -40.75 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 110.835 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.43 -41.56 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.19 -39.93 76.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 54.409999999999997 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.129999999999995 111.12 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.519 -0.232 . . . . 42.100000000000001 112.519 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.65 163.47 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 75.310000000000002 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -97.76 114.14 26.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 72.239999999999995 110.831 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.18 128.87 48.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.918 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.23 129.0 56.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.871 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 t -104.14 143.17 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 72.299999999999997 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.3 p -142.28 157.21 45.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 43.520000000000003 110.854 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t30 65.22 48.07 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 73.219999999999999 110.923 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.62 157.5 19.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.530000000000001 110.909 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -55.56 177.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.866 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.655 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 43.3 p90 -93.1 -3.35 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 75.329999999999998 110.832 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.46 -17.72 48.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.748 -0.739 . . . . 74.400000000000006 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.32 145.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 75.140000000000001 111.134 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -146.38 166.01 27.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 72.340000000000003 110.859 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -59.39 3.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.140000000000001 110.86 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.87 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 73.129999999999995 111.11 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -59.36 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 73.510000000000005 110.884 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.8 pt -62.68 -29.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.430000000000007 111.118 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -60.96 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.510000000000005 110.869 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.84 -46.92 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.450000000000003 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.96 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 73.340000000000003 110.913 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -58.55 -29.29 66.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.839 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 72.310000000000002 111.107 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.9 -30.21 45.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 73.030000000000001 110.842 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 22.6 m-85 -69.17 -51.1 41.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.907 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.79 -101.68 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 74.540000000000006 112.502 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -135.98 143.09 44.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 74.510000000000005 111.136 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.22 145.85 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.019999999999996 110.88 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -25.8 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.010000000000005 110.934 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -167.71 155.63 8.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 74.329999999999998 110.905 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.25 121.64 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 44.039999999999999 111.127 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.21 157.37 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 75.340000000000003 111.167 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.32 152.33 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 75.129999999999995 111.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.845 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.961 0.41 . . . . 73.219999999999999 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.38 -25.77 68.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 110.886 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.46 -14.13 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 73.519999999999996 112.474 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.7 p -139.25 141.77 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 75.430000000000007 111.142 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -118.24 165.72 13.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 70.239999999999995 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.83 123.72 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 63.32 110.828 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -131.96 126.74 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 72.109999999999999 111.124 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -95.66 114.92 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 64.040000000000006 110.853 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.86 148.0 26.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.896 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -83.74 -18.19 38.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.88 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 137.75 38.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.349999999999994 110.842 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -38.1 77.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 72.25 110.886 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 111.177 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.37 -33.02 63.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 71.230000000000004 110.836 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.68 -45.42 75.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.030000000000001 111.111 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -48.21 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 110.904 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -63.41 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.319999999999993 110.885 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.45 -62.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 61.130000000000003 111.091 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -31.24 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 73.530000000000001 110.832 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -80.08 -28.5 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -10.87 44.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 75.120000000000005 110.906 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -107.01 -42.91 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.310000000000002 110.873 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -50.8 112.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.409999999999997 110.919 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.57 1.73 32.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 74.219999999999999 112.52 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 61.3 t -84.51 112.8 44.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 74.219999999999999 111.121 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.42 21.2 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 73.409999999999997 112.356 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.2 tp -127.54 97.74 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 110.943 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.62 36.36 17.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 75.099999999999994 110.916 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.79 39.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 72.510000000000005 112.469 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 95.41 7.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 74.430000000000007 110.888 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 63.420000000000002 112.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.1 mtp -64.77 145.27 56.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.879 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -135.73 107.85 7.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 73.230000000000004 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.95 141.71 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 111.099 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 131.49 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.933 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 19.0 tp -88.16 123.84 33.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 71.549999999999997 110.845 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 111.157 179.794 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 67.5 t90 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.798 0.332 . . . . 74.420000000000002 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.58 -23.94 39.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 74.439999999999998 111.096 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.71 -60.52 2.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 65.439999999999998 110.894 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -50.87 -37.82 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.848 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 99.9 t -69.25 -48.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.25 111.08 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -57.37 -36.72 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -74.52 -49.74 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 110.9 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.2 -41.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 74.209999999999994 111.052 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.476 -0.25 . . . . 71.450000000000003 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.89 174.06 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 75.299999999999997 111.174 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -110.68 112.86 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.219999999999999 110.851 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.32 122.49 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 110.842 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.53 119.93 39.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 63.32 110.908 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.22 141.14 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.540000000000006 111.098 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.7 m -146.72 157.45 43.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 64.430000000000007 110.884 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 t30 64.3 49.13 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 74.430000000000007 110.925 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.46 166.38 11.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.896 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.98 177.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 62.130000000000003 110.876 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 1.664 ' HE1' ' CE2' ' A' ' 84' ' ' PHE . 54.5 m-85 -97.35 8.24 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.841 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.73 -3.37 34.6 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.743 -0.741 . . . . 63.240000000000002 112.378 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.0 t -53.61 148.57 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 74.040000000000006 111.153 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.22 160.6 43.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 74.430000000000007 110.794 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.86 -54.24 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.230000000000004 110.869 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.89 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 111.133 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.72 -53.74 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.864 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 pt -67.35 -35.95 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.239999999999995 111.154 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -61.07 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 75.439999999999998 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.51 -47.85 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.019999999999996 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.55 -65.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.109999999999999 110.861 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 122' ' ' PHE . 24.7 m-85 -59.35 -28.52 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 74.430000000000007 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.55 -31.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.219999999999999 111.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -30.74 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 72.349999999999994 110.902 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.636 ' HD1' ' CD2' ' A' ' 98' ' ' PHE . 18.5 m-85 -66.27 -52.71 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 110.839 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.73 -97.72 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 64.540000000000006 112.543 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -140.64 139.41 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 65.140000000000001 111.24 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.3 mt -119.21 154.99 32.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.150000000000006 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -36.5 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 110.874 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -149.4 147.51 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 75.239999999999995 110.888 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.88 123.92 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.209999999999994 111.11 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.51 157.39 43.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 71.010000000000005 111.187 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 p -121.73 144.54 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.340000000000003 111.105 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 64.409999999999997 110.863 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.88 0.371 . . . . 71.109999999999999 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -17.85 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 75.400000000000006 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.89 -10.27 12.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 71.420000000000002 112.453 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.5 p -142.24 141.26 32.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 73.219999999999999 111.125 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -114.56 169.84 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 111.073 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -139.64 108.56 6.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.540000000000006 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 p -127.8 127.8 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 61.039999999999999 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -96.08 123.37 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 73.140000000000001 110.858 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 95' ' ' PHE . 5.8 m-85 -83.39 151.97 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.519999999999996 110.898 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.87 -15.67 50.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.109999999999999 110.875 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.83 136.56 35.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.873 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -32.64 73.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 75.530000000000001 110.829 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 71.540000000000006 111.062 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.29 -23.37 48.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 62.329999999999998 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.0 -59.51 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 70.140000000000001 111.106 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.54 -40.22 82.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 73.040000000000006 110.971 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.96 -48.81 72.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 72.319999999999993 110.941 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 111.094 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -34.96 57.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.150000000000006 110.853 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -26.02 52.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 73.319999999999993 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.99 -14.05 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 64.209999999999994 110.912 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -105.48 -42.49 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 65.349999999999994 110.913 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -50.41 112.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 75.230000000000004 110.894 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.09 29.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 75.510000000000005 112.462 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 68.1 t -84.53 112.91 45.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 74.329999999999998 111.157 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.85 18.31 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.6 2.2 . . . . 71.239999999999995 112.367 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -125.37 97.99 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.450000000000003 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 t70 52.56 34.73 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.863 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.58 19.74 34.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 71.319999999999993 112.529 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.14 97.12 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 74.109999999999999 110.85 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 74.230000000000004 112.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.2 mtp -63.15 142.94 58.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.932 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -132.37 107.68 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 62.100000000000001 110.905 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.7 mp -112.36 143.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 63.5 111.082 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.27 144.08 48.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 74.219999999999999 110.933 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.8 tt -91.1 128.27 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.866 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 71.099999999999994 111.117 179.836 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 68.0 t90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.737 0.304 . . . . 73.450000000000003 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.11 -26.65 48.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 111.078 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -69.73 -48.41 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 110.807 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -59.18 -39.79 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.099999999999994 110.806 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.09 -60.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 62.310000000000002 111.087 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -55.09 -29.65 58.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 62.310000000000002 110.847 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.29 -38.18 43.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 74.200000000000003 110.918 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.57 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 75.450000000000003 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 72.319999999999993 111.111 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.2 mtt . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.791 0.329 . . . . 74.040000000000006 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 63.02 49.46 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 71.439999999999998 111.121 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -94.48 171.24 8.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.832 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -169.13 156.88 7.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 73.310000000000002 110.849 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 t -143.53 159.34 42.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 111.139 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.73 -172.07 21.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 74.109999999999999 112.415 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.59 144.17 6.5 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.642 -0.789 . . . . 75.030000000000001 112.439 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -163.46 118.23 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 64.340000000000003 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -84.48 176.85 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 73.530000000000001 110.902 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -137.16 178.38 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 75.510000000000005 110.89 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.11 -171.39 37.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 73.129999999999995 112.501 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -82.41 122.98 28.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 74.439999999999998 110.857 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.98 160.54 82.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 63.210000000000001 110.91 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 -17.1 38.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 70.329999999999998 112.355 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -94.41 18.93 10.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 75.219999999999999 110.826 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -106.8 34.4 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 73.430000000000007 110.905 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -88.98 178.74 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.209999999999994 110.91 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -118.01 165.42 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 72.030000000000001 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -115.68 36.32 4.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 73.400000000000006 110.816 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -87.07 -25.54 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 72.219999999999999 110.917 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -86.95 10.81 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.219999999999999 110.905 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -52.2 162.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.230000000000004 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -130.26 143.71 50.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 74.530000000000001 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -110.18 -53.67 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 73.030000000000001 110.855 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.69 79.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.802 -0.714 . . . . 51.020000000000003 112.471 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.4 t -163.38 134.06 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 64.099999999999994 110.869 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.85 130.74 3.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.775 -0.726 . . . . 65.530000000000001 112.463 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.33 149.12 5.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 71.430000000000007 112.483 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.21 -41.25 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 60.310000000000002 112.489 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -102.28 -178.52 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 60.020000000000003 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.85 -94.09 2.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 75.510000000000005 112.476 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 t -140.26 155.45 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 73.409999999999997 111.151 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -98.85 27.7 4.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.481 . . . . 72.519999999999996 110.898 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 t -140.44 39.44 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 75.319999999999993 111.152 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.79 150.38 5.2 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.736 -0.745 . . . . 64.099999999999994 112.437 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.3 161.97 30.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 70.439999999999998 111.093 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -103.97 113.57 27.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 73.329999999999998 110.843 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.19 139.61 30.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 71.040000000000006 110.9 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.64 108.49 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 74.109999999999999 110.936 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.8 t -90.57 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 111.09 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.4 p -144.63 159.52 42.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.310000000000002 110.887 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.11 45.98 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 65.439999999999998 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.68 158.57 17.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 71.230000000000004 110.936 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -55.55 177.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 65.420000000000002 110.861 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.662 ' HE1' ' CE2' ' A' ' 84' ' ' PHE . 51.1 p90 -93.15 -7.42 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.409999999999997 110.884 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.24 -17.32 59.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 65.040000000000006 112.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 p -50.65 142.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.310000000000002 111.16 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.0 m -145.68 167.18 23.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 55.409999999999997 110.788 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -59.91 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 62.100000000000001 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -38.9 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 53.039999999999999 111.105 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -60.66 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 74.25 110.848 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.1 pt -61.06 -29.13 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 72.200000000000003 111.122 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -61.22 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 73.219999999999999 110.908 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.49 -46.93 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.16 -66.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 63.329999999999998 110.923 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -59.64 -27.22 66.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 74.319999999999993 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.329999999999998 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.92 -30.09 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 65.010000000000005 110.873 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 16.9 m-85 -68.28 -50.25 54.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 110.885 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.97 -102.74 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 71.109999999999999 112.438 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 m -133.55 138.38 46.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.332 . . . . 72.439999999999998 111.149 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.7 mt -113.86 145.35 41.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 110.905 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -100.65 -25.38 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.140000000000001 110.915 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 156.72 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 70.430000000000007 110.938 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.11 132.06 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 52.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.02 157.13 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 74.239999999999995 111.099 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.6 p -132.35 149.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 74.230000000000004 111.16 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.62 126.2 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.340000000000003 110.874 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -117.52 143.56 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 75.439999999999998 110.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -87.52 178.48 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 72.439999999999998 110.909 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -62.91 -27.18 69.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 73.439999999999998 110.91 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -71.95 -22.32 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 74.549999999999997 110.878 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.21 29.48 7.52 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 71.400000000000006 112.477 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -132.18 153.91 50.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 74.530000000000001 110.9 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.87 117.78 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 110.85 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.88 -31.78 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 110.89 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.87 -20.97 3.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.745 -0.74 . . . . 74.25 112.486 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.4 p -132.79 142.14 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 74.25 111.183 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.55 166.59 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.230000000000004 111.074 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.39 127.3 40.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 75.310000000000002 110.887 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.2 t -129.36 127.13 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 75.519999999999996 111.118 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.12 115.5 27.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.019999999999996 110.895 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -88.09 139.97 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.040000000000006 110.914 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.45 -15.81 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 145.35 42.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 110.918 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -32.72 62.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -63.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 75.439999999999998 111.095 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.25 -28.17 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.87 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.14 -57.18 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.150000000000006 111.051 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -57.83 -42.52 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.828 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.13 -46.15 78.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.934 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.16 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 72.120000000000005 111.064 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 72.230000000000004 110.853 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -78.39 -25.57 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -89.39 -10.99 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.109999999999999 110.936 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -109.76 -41.38 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.883 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -50.75 112.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.888 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.98 5.23 33.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 60.210000000000001 112.482 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.3 t -87.75 112.68 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.732 . . . . 74.420000000000002 111.108 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.56 21.49 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 75.010000000000005 112.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 tp -127.63 97.75 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 74.329999999999998 110.875 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 50.71 37.02 15.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 72.420000000000002 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.44 20.2 38.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 61.329999999999998 112.485 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -140.88 93.89 8.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 71.510000000000005 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.09 4.4 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.72 2.28 . . . . 72.319999999999993 112.339 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 mtp -65.27 143.23 57.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 54.109999999999999 110.901 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -133.57 110.92 10.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 71.25 110.892 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.4 mp -106.06 139.34 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 74.400000000000006 111.151 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.71 115.94 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.439999999999998 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 7.2 tp -76.13 123.75 26.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.71 126.07 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.329999999999998 111.085 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.28 100.08 12.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 62.32 111.127 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 57.3 m -91.22 169.73 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.409999999999997 110.836 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -128.81 156.9 42.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.101 -0.5 . . . . 72.040000000000006 110.895 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 74.6 mt -117.4 -31.07 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 75.140000000000001 111.155 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.77 139.78 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 61.530000000000001 110.847 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.3 mp -88.77 -31.54 18.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 54.340000000000003 110.944 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -96.74 26.85 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 54.020000000000003 110.893 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -58.27 148.88 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 71.540000000000006 110.885 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -110.52 167.99 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.409999999999997 110.856 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -122.01 112.51 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.908 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -130.74 -178.7 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 75.319999999999993 110.815 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -60.28 139.85 57.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 72.349999999999994 110.786 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 121.462 0.479 . . . . 75.109999999999999 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -19.98 35.74 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.702 2.268 . . . . 75.040000000000006 112.351 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.7 96.08 4.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 71.349999999999994 110.908 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.16 131.72 5.53 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 72.450000000000003 112.461 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -134.5 96.45 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 74.109999999999999 110.83 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -131.29 68.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 75.150000000000006 110.863 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 35.0 m -96.92 171.95 8.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 71.319999999999993 110.885 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.24 -170.8 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.89 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -55.93 174.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 111.127 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -69.65 148.1 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.310000000000002 110.875 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -55.85 -26.27 46.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 75.430000000000007 110.916 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.78 -30.99 51.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 61.039999999999999 111.076 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.21 -49.48 67.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 72.299999999999997 110.844 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -58.83 -38.74 79.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.310000000000002 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 65.9 t -66.81 -60.11 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.439999999999998 111.217 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -54.13 -33.1 56.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 71.409999999999997 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.31 -41.06 63.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 71.150000000000006 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.83 98.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 55.539999999999999 111.082 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.04 -38.38 57.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.219999999999999 111.088 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.26 -45.04 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.109999999999999 111.124 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.37 -26.36 60.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 73.519999999999996 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -87.74 59.64 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 75.219999999999999 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 74.430000000000007 110.8 -179.904 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.782 0.325 . . . . 73.040000000000006 110.86 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.72 155.21 3.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 51.119999999999997 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 p -164.0 170.06 17.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 73.010000000000005 110.831 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.88 174.17 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.209999999999994 110.87 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -140.88 157.34 45.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 73.209999999999994 111.16 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.86 -156.12 43.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 72.349999999999994 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.36 -30.04 10.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 75.230000000000004 112.478 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -101.06 66.73 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 63.409999999999997 110.88 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -72.28 88.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 75.209999999999994 110.88 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.7 tpt -108.33 135.41 49.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.439999999999998 110.87 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.52 116.08 1.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 70.140000000000001 112.47 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -63.57 163.91 10.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 75.010000000000005 110.876 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.05 160.53 43.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.701 . . . . 75.010000000000005 110.86 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -16.71 37.73 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.652 2.235 . . . . 72.219999999999999 112.336 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -54.83 -29.09 54.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 74.530000000000001 110.89 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -77.06 -27.58 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 74.140000000000001 110.898 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -70.4 165.17 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 71.239999999999995 110.932 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -89.62 89.02 7.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 74.099999999999994 110.942 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -109.04 41.73 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.841 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -84.71 -26.44 27.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 72.319999999999993 110.873 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.9 10.58 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.349999999999994 110.882 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -52.18 161.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.87 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -149.48 167.21 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.510000000000005 110.868 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -164.39 84.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 54.130000000000003 110.843 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.65 101.8 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.727 . . . . 65.310000000000002 112.477 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 t -159.11 155.96 28.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 75.420000000000002 110.88 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.78 -67.47 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 74.200000000000003 112.494 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.75 -162.17 12.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.668 -0.777 . . . . 55.399999999999999 112.468 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.41 50.67 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 75.120000000000005 112.494 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.62 133.08 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 73.450000000000003 110.879 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.83 -74.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 44.329999999999998 112.479 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -110.47 106.76 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 74.549999999999997 111.159 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.25 51.25 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 70.310000000000002 110.872 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -163.18 26.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.530000000000001 111.127 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.16 149.21 5.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 63.240000000000002 112.449 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.9 155.59 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 74.430000000000007 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -90.6 113.74 25.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 73.430000000000007 110.919 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.75 133.33 44.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.430000000000007 110.919 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.05 127.18 53.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 72.420000000000002 110.961 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.67 141.95 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 71.510000000000005 111.113 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.9 m -142.63 155.86 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 65.510000000000005 110.876 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.07 47.78 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.219999999999999 110.889 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.41 156.89 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.5 110.955 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -57.55 177.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 110.92 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -88.27 -24.56 23.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 75.530000000000001 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.31 -21.05 70.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 43.149999999999999 112.487 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.63 145.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 75.549999999999997 111.133 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -149.39 167.37 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.879 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.62 -59.22 4.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 74.430000000000007 110.853 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.99 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 64.439999999999998 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -56.85 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 71.420000000000002 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.4 pt -65.19 -29.69 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.131 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -61.01 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.510000000000005 110.942 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.55 -46.81 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -66.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 74.349999999999994 110.941 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.74 -28.37 65.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 73.450000000000003 110.889 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.01 70.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 71.439999999999998 111.139 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -30.43 58.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.846 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.659 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 22.6 m-85 -70.04 -49.4 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 73.129999999999995 110.906 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.05 -114.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 75.400000000000006 112.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -127.02 130.33 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 75.420000000000002 111.181 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.4 mt -107.37 147.84 29.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.891 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -98.22 -25.61 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.540000000000006 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.11 156.31 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.938 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.19 127.01 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 74.439999999999998 111.118 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 157.27 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 74.310000000000002 111.084 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.3 p -125.8 144.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 72.239999999999995 111.159 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.12 140.82 29.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.329999999999998 110.846 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -130.49 150.46 51.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 110.921 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -93.59 176.15 6.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 73.409999999999997 110.907 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.09 -25.56 67.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 75.109999999999999 110.897 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -70.97 -22.35 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.120000000000005 110.854 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.88 39.77 4.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 55.200000000000003 112.48 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -146.73 162.48 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 75.400000000000006 110.86 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 m -53.2 119.7 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 74.129999999999995 110.876 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.52 -27.04 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 -13.41 5.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.140000000000001 112.449 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.0 p -140.58 141.71 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 75.439999999999998 111.144 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -119.84 168.21 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 71.040000000000006 111.106 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.37 125.29 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.44 129.88 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 75.400000000000006 111.098 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -95.65 115.28 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.826 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -88.19 143.27 27.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 75.150000000000006 110.848 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -79.77 -20.21 46.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 71.340000000000003 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 140.26 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 110.857 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.69 -28.89 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.209999999999994 110.851 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 63.420000000000002 111.172 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.62 -33.63 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.319999999999993 110.858 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.04 86.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 61.420000000000002 111.076 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -49.31 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 63.350000000000001 110.986 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -37.97 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 110.864 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.69 -61.26 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.219999999999999 111.093 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -32.25 65.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.844 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -77.8 -29.41 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 75.540000000000006 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -89.75 -11.6 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 75.430000000000007 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -105.17 -42.46 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 110.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -50.31 112.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.420000000000002 110.935 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.17 -0.85 29.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 72.230000000000004 112.502 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.52 113.31 41.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 73.439999999999998 111.108 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.19 20.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 75.310000000000002 112.339 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tp -127.51 97.75 4.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 73.540000000000006 110.946 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t0 51.85 36.55 18.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 64.439999999999998 110.871 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.89 19.3 40.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.219999999999999 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.14 97.83 6.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 72.120000000000005 110.902 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 115.77 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 75.519999999999996 112.37 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.3 mtp -63.14 143.47 57.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 72.340000000000003 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -134.28 107.89 7.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 74.319999999999993 110.869 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -107.32 136.55 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.25 111.136 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.01 129.09 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.95 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.4 tt -87.59 123.08 32.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.540000000000006 110.927 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 50.3 t -111.59 120.86 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 65.439999999999998 111.147 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.95 96.44 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 60.329999999999998 111.077 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.6 p -169.69 134.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -142.41 172.51 12.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.921 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 76.8 mt -118.83 -30.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 111.139 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 27.1 t70 56.07 53.25 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.209999999999994 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.9 pp -89.0 -25.52 21.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.430000000000007 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -95.85 33.43 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 72.019999999999996 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -85.01 79.57 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 64.030000000000001 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -148.19 167.12 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 62.009999999999998 110.83 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -119.46 85.73 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 73.230000000000004 110.882 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -141.12 177.95 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 75.439999999999998 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -112.85 117.69 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 71.120000000000005 110.871 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 75.420000000000002 110.88 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 121.448 0.471 . . . . 73.230000000000004 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 80.96 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.644 2.23 . . . . 75.349999999999994 112.389 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.83 156.14 16.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 75.400000000000006 110.953 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.14 108.1 0.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 74.510000000000005 112.491 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 53.9 p -108.33 178.08 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 44.520000000000003 110.835 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 6.8 m -74.74 137.03 41.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 62.549999999999997 110.86 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 22.6 m -114.76 167.39 10.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.450000000000003 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -116.23 -16.2 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.510000000000005 110.916 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.0 t -162.92 168.08 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 111.131 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 1.5 m -64.38 146.09 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 71.510000000000005 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -53.52 -28.06 29.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.906 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.93 -32.68 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.230000000000004 111.088 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.63 -57.7 8.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 70.420000000000002 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -51.51 -34.19 35.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 71.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.31 -60.28 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 111.175 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -59.66 -23.4 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 73.319999999999993 110.9 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.36 -45.68 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.918 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.68 -28.42 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 43.030000000000001 111.094 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.08 -46.67 12.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 70.120000000000005 111.096 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.94 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 74.150000000000006 111.089 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.98 -31.45 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 110.924 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -82.24 56.68 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 74.030000000000001 110.886 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 72.439999999999998 110.882 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.757 0.313 . . . . 73.299999999999997 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.6 93.81 8.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 75.340000000000003 111.124 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.8 p -87.58 91.59 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 70.129999999999995 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -172.26 179.74 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 74.340000000000003 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.6 p -114.24 156.08 24.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 72.510000000000005 111.158 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.8 -170.55 12.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 62.509999999999998 112.473 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.49 88.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.666 -0.778 . . . . 74.219999999999999 112.544 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -131.57 61.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.735 0.302 . . . . 74.540000000000006 110.922 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -129.33 45.04 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 74.209999999999994 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -95.88 108.55 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 75.400000000000006 110.863 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.43 171.86 34.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 53.520000000000003 112.47 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -129.78 141.93 50.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 72.510000000000005 110.866 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.52 158.63 1.42 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 74.209999999999994 110.828 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -18.76 36.79 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 75.25 112.342 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.12 -27.97 69.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 72.420000000000002 110.908 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -25.99 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 72.420000000000002 110.918 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -52.26 148.09 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.936 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -114.17 25.23 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.918 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -127.57 73.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 73.530000000000001 110.868 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.61 -25.83 24.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 110.821 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -87.55 11.09 15.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.310000000000002 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -53.1 165.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.875 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.26 147.46 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 73.530000000000001 110.826 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -124.96 51.38 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 64.439999999999998 110.844 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.06 -23.29 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 74.540000000000006 112.47 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.0 m -99.76 113.56 26.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 73.040000000000006 110.919 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.4 42.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 75.239999999999995 112.478 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.85 -29.06 74.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.733 . . . . 72.420000000000002 112.464 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.52 101.65 2.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 70.239999999999995 112.478 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.5 119.12 5.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.921 0.391 . . . . 73.120000000000005 110.924 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 152.49 74.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 74.439999999999998 112.503 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.1 t -111.94 105.71 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 73.5 111.118 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -87.8 50.7 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.209999999999994 110.873 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -160.35 24.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 71.540000000000006 111.18 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.35 144.29 4.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 74.510000000000005 112.514 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.41 168.67 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 74.299999999999997 111.191 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -105.92 113.82 27.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 74.310000000000002 110.906 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.13 139.66 30.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 74.340000000000003 110.943 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -118.64 109.42 16.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 73.430000000000007 110.964 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.68 141.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 75.099999999999994 111.111 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.6 m -146.23 160.71 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 110.845 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 t30 64.0 42.52 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.866 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.72 158.29 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.239999999999995 110.907 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -54.95 177.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.882 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.642 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 39.8 m-85 -93.82 0.42 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.863 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.3 -16.65 36.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 73.319999999999993 112.429 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.73 145.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 73.299999999999997 111.174 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 m -147.95 167.65 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.885 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.04 -60.73 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 74.109999999999999 110.883 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.83 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 64.25 111.078 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -61.37 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 71.319999999999993 110.849 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.3 pt -60.77 -28.26 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 111.122 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -61.16 2.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.329999999999998 110.942 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.36 -47.19 86.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.140000000000001 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -66.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.329999999999998 110.943 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -58.85 -27.48 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.299999999999997 110.877 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 72.030000000000001 111.092 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -52.65 -30.71 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 75.230000000000004 110.938 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 29.0 m-85 -69.56 -50.9 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 75.219999999999999 110.923 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.97 -120.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 75.010000000000005 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 m -127.0 107.77 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 74.319999999999993 111.158 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.97 165.42 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 73.530000000000001 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -30.27 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.902 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.66 156.22 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 71.519999999999996 110.829 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.93 134.69 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 65.109999999999999 111.061 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 153.74 40.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 63.25 111.054 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -130.65 152.17 37.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 111.105 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.81 123.77 38.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.858 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.47 147.83 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.099999999999994 110.949 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -92.79 -175.5 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 110.871 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -63.38 -29.69 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.140000000000001 110.883 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -73.7 -22.39 59.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 74.420000000000002 110.882 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.55 24.47 11.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.773 -0.727 . . . . 72.230000000000004 112.45 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -124.23 157.11 35.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 74.519999999999996 110.876 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.6 t -53.29 125.9 19.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.530000000000001 110.846 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.8 -26.4 68.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 74.430000000000007 110.96 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.18 -15.43 4.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 44.520000000000003 112.505 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.5 p -135.11 141.83 46.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 72.120000000000005 111.109 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -127.63 166.05 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.209999999999994 111.133 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.01 122.99 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.829 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -124.96 130.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 63.439999999999998 111.16 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -95.61 114.03 25.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.510000000000005 110.802 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -86.76 133.47 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.847 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.43 -14.48 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 63.329999999999998 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.44 142.38 37.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 75.049999999999997 110.898 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -30.79 58.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.030000000000001 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.43 -64.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 65.310000000000002 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -26.81 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.040000000000006 110.83 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.95 -51.55 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.430000000000007 111.106 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.12 -40.47 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -65.55 -48.41 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.902 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.9 -60.31 3.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.89 53.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 74.230000000000004 110.877 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -77.45 -28.61 52.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.909 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.17 -11.1 44.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -106.39 -43.82 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.013 0.435 . . . . 73.319999999999993 110.96 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -50.46 112.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 74.319999999999993 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.84 1.75 30.39 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.706 -0.759 . . . . 73.150000000000006 112.468 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.5 t -84.9 112.78 45.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 72.310000000000002 111.112 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.91 18.4 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.72 2.28 . . . . 73.349999999999994 112.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.1 tp -125.02 97.7 5.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 110.959 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.0 t0 51.62 35.25 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 65.530000000000001 110.911 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.63 34.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 62.130000000000003 112.52 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.98 95.51 7.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 74.299999999999997 110.897 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 116.27 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 73.25 112.325 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.93 145.63 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.833 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -135.27 107.75 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 73.299999999999997 110.871 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.31 131.11 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 111.141 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.03 115.76 25.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 17.1 tp -76.7 128.16 34.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.450000000000003 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.95 125.18 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.450000000000003 111.19 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -97.72 88.52 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 74.519999999999996 111.096 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.2 t -159.84 119.95 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.299999999999997 110.851 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -141.66 154.19 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 73.209999999999994 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 53.2 mt -95.02 -41.61 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 75.329999999999998 111.168 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -84.67 71.48 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 71.120000000000005 110.902 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.69 -25.71 22.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 72.329999999999998 110.953 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -52.42 -35.19 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.849 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -63.36 134.23 55.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 71.430000000000007 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -157.37 146.46 19.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 64.319999999999993 110.809 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -93.95 150.84 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.109999999999999 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -74.95 151.05 38.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 74.299999999999997 110.821 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -86.37 -45.82 10.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.319999999999993 110.824 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 48.6 t60 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.829 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 121.417 0.454 . . . . 70.420000000000002 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -173.56 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.651 2.234 . . . . 75.519999999999996 112.359 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mp -99.77 -59.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.439999999999998 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.33 -160.99 33.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 75.120000000000005 112.506 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -96.69 37.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 73.420000000000002 110.903 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -161.91 151.72 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 64.530000000000001 110.847 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 94.4 m -127.37 26.16 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 53.5 110.962 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -116.1 -16.09 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.886 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.7 t -167.55 176.53 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 74.439999999999998 111.166 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 9.7 m -79.42 147.99 32.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 74.099999999999994 110.876 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -55.64 -25.95 41.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 74.340000000000003 110.936 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.14 -30.67 49.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 111.087 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.98 -52.47 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 65.329999999999998 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -56.67 -40.24 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 73.140000000000001 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.18 -60.28 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 111.099 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -55.02 -30.29 59.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.874 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -75.47 -37.54 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.230000000000004 110.876 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.76 78.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 65.219999999999999 111.1 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -81.66 -34.17 30.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.450000000000003 111.181 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.49 -52.7 44.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 111.076 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -64.58 -27.94 69.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 74.549999999999997 110.9 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -80.3 62.18 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.109999999999999 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.908 -179.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 75.120000000000005 110.803 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.4 157.05 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 74.230000000000004 111.076 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.1 m -77.52 -36.31 52.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 64.230000000000004 110.839 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 61.5 mtm -95.21 106.91 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 75.030000000000001 110.872 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -61.88 115.82 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 111.087 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.58 -52.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 70.219999999999999 112.495 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.49 125.64 8.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.747 -0.739 . . . . 52.130000000000003 112.473 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -129.01 68.95 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 63.119999999999997 110.853 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -136.44 123.42 21.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 110.92 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.0 ptm -130.81 -179.3 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.519999999999996 110.908 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.12 -99.54 2.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 74.540000000000006 112.459 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -88.02 130.3 35.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.772 0.32 . . . . 73.439999999999998 110.879 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 160.5 62.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.518 0.675 . . . . 73.329999999999998 110.899 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 -20.27 35.52 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.701 2.267 . . . . 74.310000000000002 112.314 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -99.07 18.88 16.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 72.349999999999994 110.856 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -105.04 26.76 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.921 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -76.97 170.37 16.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 72.409999999999997 110.93 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -109.11 36.67 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 60.399999999999999 110.967 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -65.01 -24.87 67.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 73.209999999999994 110.84 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -71.02 -21.36 62.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 73.310000000000002 110.891 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mt -87.3 10.63 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 72.329999999999998 110.901 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -51.87 167.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 110.922 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -84.88 129.45 34.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.822 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.8 p -100.93 49.65 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 110.902 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 138.01 111.41 1.02 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.754 . . . . 52.350000000000001 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.5 p -161.58 130.24 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 61.229999999999997 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.31 -94.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 64.400000000000006 112.462 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.37 101.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 60.310000000000002 112.519 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.43 -69.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.735 -0.745 . . . . 43.409999999999997 112.451 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -63.92 144.07 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 73.319999999999993 110.882 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.69 68.99 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 72.519999999999996 112.436 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.4 t -111.21 106.32 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 71.310000000000002 111.181 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.77 47.86 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 110.793 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -156.68 22.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 111.117 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.3 156.69 8.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 74.549999999999997 112.527 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.13 178.44 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 72.420000000000002 111.058 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -112.76 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 71.150000000000006 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 mp -118.53 136.61 53.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.019999999999996 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.7 tp -113.39 114.07 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.87 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.6 t -90.89 148.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 72.230000000000004 111.145 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.8 m -148.34 161.56 41.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 70.239999999999995 110.865 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 t30 65.39 42.51 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.13 157.89 17.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.540000000000006 110.866 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.34 177.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 73.409999999999997 110.867 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.607 ' HE2' ' CE1' ' A' ' 84' ' ' PHE . 28.0 m-85 -91.99 -14.65 29.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 110.864 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.59 -16.89 76.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 74.329999999999998 112.513 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.3 p -50.26 146.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.786 0.327 . . . . 74.129999999999995 111.173 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.1 m -149.59 165.59 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.239999999999995 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -60.17 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 75.430000000000007 110.842 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.66 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 111.061 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -60.26 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.87 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.4 pt -61.44 -29.1 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 111.17 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -61.06 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.209999999999994 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.1 -46.85 88.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 73.430000000000007 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.44 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 73.319999999999993 110.945 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -59.22 -27.25 65.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 75.450000000000003 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -30.17 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 73.430000000000007 111.037 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -55.54 -30.07 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.823 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 20.3 m-85 -69.3 -50.69 44.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.019999999999996 110.836 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.53 -115.92 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 72.0 112.462 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 m -129.54 117.08 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 71.400000000000006 111.186 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.0 mt -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.219999999999999 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.88 -32.16 5.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 110.897 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 150.92 28.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.150000000000006 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.98 131.21 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 73.329999999999998 111.119 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.24 157.56 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.439999999999998 111.098 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.0 p -129.01 151.0 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 71.530000000000001 111.099 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.71 128.56 44.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 110.937 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -114.34 151.49 32.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 73.150000000000006 110.984 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -99.83 176.25 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 62.130000000000003 110.852 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.26 -25.04 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 75.150000000000006 110.942 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -71.28 -22.38 61.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 75.549999999999997 110.861 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.75 23.65 13.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 72.319999999999993 112.513 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -134.61 164.7 26.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 74.530000000000001 110.911 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.76 124.48 12.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.219999999999999 110.956 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.94 -27.54 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 74.349999999999994 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.26 -16.4 3.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 63.100000000000001 112.46 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 29.9 p -140.2 141.61 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 73.25 111.098 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -124.39 169.36 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 111.098 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.87 128.45 45.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 63.450000000000003 110.937 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.68 126.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 111.127 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -98.29 113.87 25.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.773 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -85.06 148.66 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 75.530000000000001 110.883 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.11 -15.69 55.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 70.25 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.29 140.4 39.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.349999999999994 110.861 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -69.91 -42.67 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.209999999999994 110.879 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.07 -63.94 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 75.120000000000005 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -52.88 -37.3 60.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 75.349999999999994 110.869 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.23 97.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.409999999999997 111.133 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.55 -44.71 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.120000000000005 110.885 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -63.58 -43.53 96.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 74.439999999999998 110.858 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.17 -62.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 111.091 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -32.89 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.030000000000001 110.886 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -78.9 -27.66 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 74.209999999999994 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -10.54 45.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 73.439999999999998 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -108.37 -43.96 4.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 75.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -49.09 112.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.874 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.41 5.21 32.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 74.219999999999999 112.505 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 50.3 t -87.56 112.01 45.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 72.209999999999994 111.083 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.63 129.35 17.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 70.319999999999993 112.386 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.99 98.07 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 71.150000000000006 110.894 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.1 t70 51.7 33.41 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 73.519999999999996 110.85 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.76 20.03 27.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.788 -0.72 . . . . 61.32 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.15 97.01 7.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.612 0.72 . . . . 74.319999999999993 110.786 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 116.43 4.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.628 2.219 . . . . 74.519999999999996 112.331 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 mtp -65.68 141.26 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 110.846 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -130.56 107.69 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 74.340000000000003 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.89 126.93 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.299999999999997 111.102 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 110.944 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.4 tt -77.17 134.71 38.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 70.129999999999995 110.893 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 75.8 t -128.15 124.99 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 71.530000000000001 111.147 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.65 95.32 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 70.219999999999999 111.054 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.2 t -175.23 154.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 63.009999999999998 110.816 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -149.11 164.66 34.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 74.540000000000006 110.89 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.36 -46.02 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 71.349999999999994 111.15 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.15 83.93 2.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 75.030000000000001 110.855 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.46 -25.15 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 75.409999999999997 110.95 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -76.19 -36.56 58.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 71.510000000000005 110.872 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -54.01 -30.01 45.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 75.129999999999995 110.857 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -99.74 102.85 14.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.299999999999997 110.795 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -132.16 163.25 28.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.219999999999999 110.819 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -103.41 117.33 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 71.430000000000007 110.837 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -122.37 123.56 41.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.209999999999994 110.8 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 15.0 p80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.510000000000005 110.851 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 121.491 0.495 . . . . 70.129999999999995 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 149.02 66.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 71.209999999999994 112.278 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 17.5 mt -130.68 55.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.209999999999994 110.928 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 62.42 -175.56 7.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 52.399999999999999 112.483 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.1 t -71.12 144.29 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 74.030000000000001 110.846 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 28.6 m -94.62 98.15 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.299999999999997 110.819 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 7.4 p -119.98 -37.78 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.109999999999999 110.862 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.51 -170.58 2.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 75.120000000000005 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.0 t -58.75 174.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 111.144 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -66.81 151.06 48.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 74.299999999999997 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -60.32 -25.48 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 74.340000000000003 110.894 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.29 -22.58 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 64.420000000000002 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.46 -57.74 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.099999999999994 110.785 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.23 -49.47 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 74.030000000000001 110.816 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.54 -36.45 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.340000000000003 111.099 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -59.04 -41.17 87.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 71.340000000000003 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.93 -42.23 49.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.49 76.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.319999999999993 111.096 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.97 -46.71 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 72.340000000000003 111.019 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.48 -31.96 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 74.420000000000002 111.106 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -69.47 -26.38 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 73.319999999999993 110.92 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.46 29.74 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.540000000000006 110.826 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.219999999999999 110.902 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.729 0.299 . . . . 75.209999999999994 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.3 153.33 29.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 64.430000000000007 111.09 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m -145.3 172.75 12.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 62.240000000000002 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.7 ptm -174.28 150.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 72.239999999999995 110.876 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 p -151.56 176.79 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 64.5 111.117 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.06 -166.06 39.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.654 -0.784 . . . . 74.530000000000001 112.452 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.18 65.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 65.340000000000003 112.505 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -170.07 124.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.717 0.294 . . . . 64.25 110.891 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -87.15 97.34 10.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 75.200000000000003 110.907 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.2 mtt -152.17 137.34 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 72.099999999999994 110.856 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.64 163.42 11.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.773 -0.727 . . . . 61.130000000000003 112.49 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.83 136.85 39.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 73.540000000000006 110.82 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.09 160.61 42.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.534 0.683 . . . . 70.299999999999997 110.888 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -13.58 35.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 71.120000000000005 112.389 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -52.03 -30.45 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 74.25 110.849 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -30.28 26.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.847 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -57.71 161.46 3.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.281 -0.418 . . . . 74.530000000000001 110.91 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -137.66 142.2 41.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 61.310000000000002 110.891 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.02 39.12 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 110.856 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -65.98 -18.42 65.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.56 11.91 13.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -52.95 160.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 75.310000000000002 110.92 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -94.38 148.85 21.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 71.219999999999999 110.845 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.3 t -129.71 82.91 2.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 75.109999999999999 110.812 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.94 108.07 0.52 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.782 -0.723 . . . . 71.340000000000003 112.521 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.9 t -129.51 151.78 49.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 74.430000000000007 110.85 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.0 124.63 2.5 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.747 -0.74 . . . . 65.230000000000004 112.514 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.08 140.79 4.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 72.150000000000006 112.504 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.29 -76.0 1.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 70.329999999999998 112.488 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -91.6 147.05 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 75.439999999999998 110.89 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -140.9 -85.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 75.140000000000001 112.48 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.4 t -143.79 148.67 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 75.109999999999999 111.06 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.89 41.71 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 110.889 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 t -153.96 30.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.420000000000002 111.142 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.98 146.75 4.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 62.439999999999998 112.473 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.83 167.69 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 73.319999999999993 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -106.99 113.21 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.099999999999994 110.941 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.84 139.43 30.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 62.219999999999999 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 tp -120.36 112.68 19.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 74.150000000000006 110.844 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.31 142.86 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 75.099999999999994 111.138 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.7 p -145.86 155.7 43.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 72.099999999999994 110.813 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 t30 64.63 46.46 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 74.209999999999994 110.906 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.82 157.69 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.519999999999996 110.889 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 177.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 54.25 110.844 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -92.01 -12.66 32.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 72.530000000000001 110.869 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.46 -16.96 72.33 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.745 -0.74 . . . . 71.230000000000004 112.421 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.2 p -50.9 145.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 73.129999999999995 111.17 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 166.03 30.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 74.319999999999993 110.862 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.38 -60.37 2.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 71.519999999999996 110.847 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.09 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.209999999999994 111.123 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -60.31 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 55.200000000000003 110.936 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 pt -61.67 -29.48 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 111.117 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -61.03 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.030000000000001 110.924 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.69 -47.07 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 73.120000000000005 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.16 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.120000000000005 110.9 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -58.83 -28.44 66.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.917 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.72 -30.68 71.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 71.329999999999998 111.138 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -30.71 43.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 74.530000000000001 110.887 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.648 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 25.8 m-85 -69.29 -50.92 42.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 75.150000000000006 110.898 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.03 -111.3 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 75.329999999999998 112.49 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -127.8 133.66 49.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.346 . . . . 75.230000000000004 111.134 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.0 mt -111.49 146.26 37.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 74.219999999999999 110.875 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -101.48 -27.18 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.908 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 146.92 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 110.821 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.74 112.4 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 111.092 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.7 157.21 47.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 74.150000000000006 111.142 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.9 p -124.36 145.49 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 72.129999999999995 111.172 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.8 132.89 34.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 110.879 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -126.73 140.61 52.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 73.340000000000003 110.947 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -74.06 175.78 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 73.230000000000004 110.809 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -23.88 67.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 75.329999999999998 110.811 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.66 -22.23 59.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.914 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.46 44.29 2.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 71.530000000000001 112.472 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -146.01 152.7 39.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 75.530000000000001 110.866 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.9 t -51.98 111.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 110.894 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.94 -29.3 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 72.430000000000007 110.891 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.72 -15.4 4.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 72.099999999999994 112.51 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -134.03 141.8 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 74.150000000000006 111.211 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -119.21 164.87 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 111.095 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.21 118.52 22.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -127.33 125.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 111.13 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -95.56 114.98 26.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 75.209999999999994 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -85.16 144.92 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 72.329999999999998 110.894 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -78.19 -16.65 57.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 75.019999999999996 110.883 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.86 143.99 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 110.838 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -34.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 110.804 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.519999999999996 111.045 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.140000000000001 110.778 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.96 -50.59 54.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.010000000000005 111.099 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.140000000000001 110.976 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -64.99 -44.85 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.439999999999998 110.934 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.69 -61.72 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 111.057 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -34.18 53.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 75.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -78.06 -27.55 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.15 -11.33 44.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 70.219999999999999 110.904 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -107.16 -43.28 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.879 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -50.52 112.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 72.510000000000005 110.953 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.26 3.46 33.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 72.129999999999995 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 56.1 t -86.57 112.77 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 75.120000000000005 111.14 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 129.95 18.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.724 2.283 . . . . 72.219999999999999 112.335 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 tp -124.48 97.89 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 65.530000000000001 110.91 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 t70 50.91 34.82 11.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 73.019999999999996 110.856 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.51 19.75 31.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 75.430000000000007 112.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 4.1 mmp_? -141.1 95.19 7.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 75.329999999999998 110.882 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 143' ' ' ARG . 53.0 Cg_endo -69.79 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 73.420000000000002 112.325 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -65.03 146.08 55.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 110.871 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -135.66 107.74 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.239999999999995 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.06 132.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 73.239999999999995 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.7 115.89 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.239999999999995 110.951 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.4 tt -76.23 129.51 36.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.400000000000006 110.942 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.88 124.53 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.510000000000005 111.164 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -104.37 87.06 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 62.399999999999999 111.088 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.3 t -156.84 109.61 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.510000000000005 110.823 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -155.04 167.83 29.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 74.299999999999997 110.864 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.6 mm -92.5 -31.62 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 73.340000000000003 111.164 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 49.4 t0 61.05 63.71 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.893 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 78.5 mt -89.15 -22.98 22.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 72.120000000000005 110.911 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.75 -30.29 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.230000000000004 110.838 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.77 160.84 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.120000000000005 110.811 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 39.8 t60 61.43 33.75 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 73.400000000000006 110.846 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -113.59 61.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.874 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -83.82 97.3 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.864 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.73 67.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 74.010000000000005 110.816 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 6.9 p80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 75.239999999999995 110.816 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 121.492 0.496 . . . . 70.040000000000006 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 117.91 5.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 74.540000000000006 112.347 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.77 75.14 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.239999999999995 110.904 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 52.79 27.22 27.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 65.140000000000001 112.494 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -65.78 154.45 39.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 74.099999999999994 110.873 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 76.9 p -96.26 26.6 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.9 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 51.9 m -82.87 -176.83 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 72.230000000000004 110.885 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -69.13 -75.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.925 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -146.06 175.07 10.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 65.400000000000006 111.104 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 5.4 t -60.88 -170.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 70.549999999999997 110.892 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -93.36 -24.27 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.891 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.61 -25.1 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.530000000000001 111.116 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -58.35 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 62.509999999999998 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -51.83 -37.14 50.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.845 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.15 -41.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 74.140000000000001 111.123 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -63.9 -37.48 87.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.340000000000003 110.861 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.74 -35.85 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.120000000000005 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.45 88.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 111.117 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -81.92 -43.71 17.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 74.430000000000007 111.129 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.65 -49.99 61.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 62.219999999999999 111.027 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -57.07 -26.07 59.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 73.450000000000003 110.888 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -88.96 64.18 7.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 74.140000000000001 110.894 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 75.430000000000007 110.77 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 31.8 ttp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.328 . . . . 75.329999999999998 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.26 122.77 15.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 70.319999999999993 111.077 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -141.78 137.82 31.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.299999999999997 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -117.34 144.46 44.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.854 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 t -170.72 143.7 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 73.420000000000002 111.142 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.39 -174.15 33.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.798 -0.715 . . . . 62.439999999999998 112.491 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.92 140.08 2.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.759 . . . . 63.140000000000001 112.418 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -174.06 120.91 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 64.530000000000001 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -110.97 144.2 40.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 64.200000000000003 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -66.51 -177.98 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.886 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.15 141.94 10.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 72.040000000000006 112.463 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -85.83 131.96 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 74.409999999999997 110.933 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.56 158.41 1.51 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.597 0.713 . . . . 74.230000000000004 110.914 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -13.51 34.72 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 74.519999999999996 112.394 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -52.45 -29.66 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 62.539999999999999 110.905 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -51.83 -42.66 62.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 73.239999999999995 110.901 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -54.16 169.11 0.19 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.44 . . . . 75.329999999999998 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.29 107.81 19.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 70.409999999999997 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -122.96 -3.66 8.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 75.400000000000006 110.878 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -89.85 -5.81 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 75.340000000000003 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.68 33.86 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 64.430000000000007 110.902 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 1.611 ' HE1' ' CE2' ' A' ' 61' ' ' PHE . 2.2 m-85 -51.28 160.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 75.200000000000003 110.834 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.65 129.88 56.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 64.219999999999999 110.83 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.8 t -139.49 76.57 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.140000000000001 110.821 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.07 88.37 0.83 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 53.100000000000001 112.493 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.7 t -174.34 153.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 74.200000000000003 110.876 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.19 121.96 1.94 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.681 -0.771 . . . . 73.450000000000003 112.451 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.5 140.23 15.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.848 -0.692 . . . . 71.049999999999997 112.518 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.53 70.65 0.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 71.409999999999997 112.463 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -100.95 155.6 17.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 72.409999999999997 110.847 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.33 46.39 0.18 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.671 -0.776 . . . . 62.409999999999997 112.472 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.5 t -111.14 103.34 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 74.430000000000007 111.164 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -90.42 47.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 62.549999999999997 110.857 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -151.19 20.04 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.530000000000001 111.114 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.14 156.07 6.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.685 -0.769 . . . . 71.129999999999995 112.465 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.41 172.1 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 72.519999999999996 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -110.1 113.36 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.340000000000003 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.94 140.61 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 70.519999999999996 110.949 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.0 tp -121.04 110.11 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.59 143.6 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 73.519999999999996 111.117 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -147.41 158.91 44.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 110.846 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.03 42.66 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 63.520000000000003 110.834 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.75 156.2 18.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 73.219999999999999 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.4 177.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.319999999999993 110.877 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.598 ' HE2' ' CE1' ' A' ' 84' ' ' PHE . 46.0 p90 -90.17 -18.46 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 71.239999999999995 110.866 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -19.71 79.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 74.329999999999998 112.551 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.7 p -50.35 146.46 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 72.230000000000004 111.176 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 165.08 33.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 110.874 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -59.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.18 77.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 111.07 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -61.03 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.6 pt -61.12 -28.7 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.0 111.056 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -61.27 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 64.120000000000005 110.862 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.19 -47.32 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.340000000000003 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.04 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.310000000000002 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -59.92 -27.88 67.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.875 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.26 -30.5 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.030000000000001 111.11 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.12 -31.32 51.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 74.310000000000002 110.885 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.636 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 30.4 m-85 -67.98 -49.04 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.897 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.01 -120.28 0.53 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 73.519999999999996 112.472 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -124.09 112.99 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 73.239999999999995 111.085 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.14 154.39 21.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 75.140000000000001 110.871 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -33.72 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.519999999999996 110.891 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -157.18 150.75 24.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 75.400000000000006 110.881 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.04 127.09 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.200000000000003 111.037 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.03 151.06 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -120.18 152.41 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 63.310000000000002 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.21 127.1 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.219999999999999 110.871 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.27 146.68 42.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 74.409999999999997 110.897 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -90.92 -175.47 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 71.5 110.846 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -65.38 -29.02 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 75.239999999999995 110.841 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.6 m -71.5 -22.27 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 74.030000000000001 110.879 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.47 22.16 13.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.65 -0.786 . . . . 73.140000000000001 112.501 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -124.98 161.59 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 74.420000000000002 110.866 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.21 132.48 43.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.842 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.3 mt -69.77 -24.63 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 74.219999999999999 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.81 -14.88 5.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.819 -0.705 . . . . 70.140000000000001 112.511 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.4 p -138.22 141.66 39.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.78 0.324 . . . . 71.310000000000002 111.134 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.97 162.22 23.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 111.061 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -126.57 126.07 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.89 125.87 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 111.118 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -95.28 119.4 33.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 70.219999999999999 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -88.97 134.31 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 110.886 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.82 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 62.310000000000002 110.884 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 143.56 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 75.219999999999999 110.933 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.91 -33.03 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 70.230000000000004 110.897 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.09 -64.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.010000000000005 111.16 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -26.24 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.88 -50.8 65.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.25 111.059 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.01 -38.44 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 73.409999999999997 110.89 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -67.53 -47.65 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 110.943 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.56 -57.26 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.319999999999993 111.081 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -33.62 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 71.450000000000003 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -76.4 -28.68 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 73.510000000000005 110.9 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -89.22 -14.35 36.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -101.9 -43.99 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.836 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -50.48 112.04 0.63 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 72.430000000000007 110.872 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.64 2.71 28.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.663 -0.779 . . . . 75.5 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.36 112.67 43.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 75.439999999999998 111.1 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 132.0 22.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 74.299999999999997 112.337 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.0 tp -129.51 97.85 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.986 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.57 37.07 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 74.439999999999998 110.854 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.47 20.66 40.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 62.399999999999999 112.496 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.06 94.39 7.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 75.239999999999995 110.915 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 116.19 4.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 73.109999999999999 112.371 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mtp -62.11 144.77 54.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 73.450000000000003 110.946 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -134.69 107.74 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 70.239999999999995 110.833 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.11 137.37 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 71.239999999999995 111.142 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.94 115.75 21.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.099999999999994 110.891 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.3 tt -76.87 126.87 31.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 74.510000000000005 110.923 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 91.4 t -114.81 126.07 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 60.219999999999999 111.098 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.35 87.06 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.319999999999993 111.095 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.2 t -158.0 145.0 17.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 65.299999999999997 110.86 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -130.37 174.98 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 75.439999999999998 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 40.2 mm -122.02 -34.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 62.310000000000002 111.089 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.45 73.45 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 50.439999999999998 110.853 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.1 -33.03 21.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.120000000000005 110.949 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -60.23 -71.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.904 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -96.04 163.59 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 71.439999999999998 110.833 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -173.79 137.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.439999999999998 110.864 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -61.26 -179.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.439999999999998 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -166.62 130.69 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.400000000000006 110.881 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -96.81 172.69 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 110.852 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.439999999999998 110.833 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 CA-C-O 121.379 0.433 . . . . 75.530000000000001 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 86.21 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.722 2.281 . . . . 71.409999999999997 112.322 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.31 177.62 5.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.879 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 147.72 -43.66 0.82 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.712 -0.756 . . . . 75.540000000000006 112.5 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t -61.85 -27.31 68.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 73.040000000000006 110.822 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.3 m -66.07 150.61 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 62.229999999999997 110.828 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 63.7 m -112.32 -36.72 5.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 71.450000000000003 110.891 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.59 -172.0 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 72.519999999999996 110.874 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.0 t -55.88 168.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 111.152 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 72.0 m -64.08 146.83 53.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 74.120000000000005 110.892 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -56.21 -24.89 44.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 75.430000000000007 110.898 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.24 -31.07 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.420000000000002 111.079 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.23 -56.47 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.55 -47.72 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.842 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.83 -50.67 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 72.299999999999997 111.112 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -52.01 -37.37 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 110.915 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.63 -47.93 43.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.77 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.349999999999994 111.084 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.6 -39.09 58.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 111.07 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.75 55.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 74.150000000000006 111.039 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -84.13 -30.37 25.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 75.140000000000001 110.939 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -85.73 58.56 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.807 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 74.439999999999998 110.859 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 74.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.18 172.34 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 111.098 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 p -168.48 177.94 5.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 42.219999999999999 110.832 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.3 ptt? -172.48 179.78 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.420000000000002 110.851 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.6 t -160.75 173.7 15.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 65.409999999999997 111.197 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.7 -167.42 16.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 73.420000000000002 112.468 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.04 145.47 6.72 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 73.439999999999998 112.476 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -151.92 115.84 4.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 73.430000000000007 110.881 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -100.17 171.23 7.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 72.519999999999996 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.0 ptp -145.33 -176.83 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 73.519999999999996 110.89 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.49 -164.72 10.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 70.010000000000005 112.459 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -115.82 179.23 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 74.519999999999996 110.861 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.56 160.55 47.47 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.548 0.69 . . . . 73.099999999999994 110.884 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.75 37.48 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.715 2.277 . . . . 65.530000000000001 112.342 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.94 -22.71 60.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.882 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -62.48 -31.06 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 110.889 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -51.79 168.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 110.96 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -130.29 -179.38 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 74.140000000000001 110.942 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -107.41 -24.59 11.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 74.120000000000005 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.0 -5.1 47.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.18 33.67 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 72.439999999999998 110.929 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 1.641 ' HE2' ' CE1' ' A' ' 61' ' ' PHE . 1.7 m-85 -50.97 168.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 73.030000000000001 110.904 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -100.19 80.27 2.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 64.329999999999998 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -103.25 -26.8 12.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 61.399999999999999 110.865 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.67 -24.69 55.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 71.040000000000006 112.519 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.7 m 61.63 31.96 18.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 70.109999999999999 110.852 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.92 -171.08 3.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.687 -0.768 . . . . 72.329999999999998 112.533 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.41 -130.66 7.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 70.340000000000003 112.485 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.41 121.95 1.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 61.310000000000002 112.502 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -145.45 110.44 5.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 73.25 110.785 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.37 43.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 65.430000000000007 112.473 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.54 121.65 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 73.109999999999999 111.13 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -95.34 36.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 63.340000000000003 110.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.3 t -138.54 28.19 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 74.420000000000002 111.122 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 149.18 152.57 5.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.794 -0.717 . . . . 61.32 112.51 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.8 153.45 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 62.409999999999997 111.09 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -83.74 152.77 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.540000000000006 110.923 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -134.24 106.76 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 110.879 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp -89.47 109.54 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 64.230000000000004 110.953 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.3 t -90.96 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.349999999999994 111.196 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -146.15 160.81 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 110.878 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 65.37 43.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.6 160.75 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.209999999999994 110.889 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -54.89 177.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 63.539999999999999 110.833 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -94.0 3.66 55.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.409999999999997 110.946 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.47 -16.94 25.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 32.43 112.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.71 148.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 70.400000000000006 111.158 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m -149.29 166.69 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 31.420000000000002 110.893 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -59.14 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 74.319999999999993 110.939 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.73 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 75.340000000000003 111.094 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 74.040000000000006 110.891 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.6 pt -60.63 -34.64 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.310000000000002 111.155 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -61.56 2.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 71.319999999999993 110.883 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.91 -47.45 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.841 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -65.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.310000000000002 110.891 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -59.09 -29.38 67.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 110.917 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.43 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.209999999999994 111.061 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -30.94 44.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 74.230000000000004 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 17.2 m-85 -66.16 -52.23 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.200000000000003 110.88 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.69 -97.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 73.519999999999996 112.501 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -139.9 137.88 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 74.340000000000003 111.114 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.0 mt -116.1 144.25 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 73.430000000000007 110.97 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -91.55 -29.96 16.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 110.947 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.31 158.09 13.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.878 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.9 131.2 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 73.400000000000006 111.077 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.31 157.53 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 75.439999999999998 111.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.36 152.52 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 111.066 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.07 119.31 38.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 74.340000000000003 110.823 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -106.97 161.64 14.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 72.519999999999996 110.979 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -103.19 -169.77 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.530000000000001 110.85 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -67.62 -31.52 71.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 110.908 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -70.96 -22.38 62.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 71.450000000000003 110.855 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.94 35.69 5.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 73.099999999999994 112.51 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -137.59 161.7 35.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 64.510000000000005 110.894 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 t -51.99 120.4 5.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 72.0 110.937 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.65 -25.18 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.26 -8.51 5.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.72 . . . . 53.219999999999999 112.493 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.5 p -140.63 141.99 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 73.340000000000003 111.221 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.62 170.22 9.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 71.25 111.067 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.47 114.88 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.904 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -129.41 131.51 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 75.099999999999994 111.099 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -95.84 121.85 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 62.409999999999997 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -85.52 137.51 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 74.530000000000001 110.89 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -67.77 -16.39 64.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 71.329999999999998 110.981 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.8 148.35 42.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 75.450000000000003 110.788 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -32.8 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.099999999999994 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 -63.38 1.29 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.340000000000003 111.122 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -53.55 -27.82 28.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 72.219999999999999 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.23 -59.49 2.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 54.420000000000002 111.088 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.23 -42.97 78.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 72.439999999999998 110.865 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -64.55 -47.19 79.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 62.119999999999997 110.921 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.35 -61.11 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 73.439999999999998 111.119 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -34.28 52.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 62.229999999999997 110.901 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -77.78 -27.67 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.129999999999995 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.37 -10.88 44.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 65.409999999999997 110.956 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -107.95 -40.87 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 74.219999999999999 110.905 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.14 112.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 74.549999999999997 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.42 5.51 34.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 43.409999999999997 112.498 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.4 t -85.5 112.66 45.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 72.510000000000005 111.121 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 130.42 19.22 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.637 2.225 . . . . 72.010000000000005 112.381 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 tp -127.6 97.72 4.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 75.400000000000006 110.975 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.5 t0 51.36 36.61 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.510000000000005 110.894 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.8 20.55 36.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 55.020000000000003 112.476 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 96.12 7.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 73.530000000000001 110.911 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 71.450000000000003 112.354 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.79 146.03 53.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.804 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -136.54 107.55 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.14 135.72 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 73.420000000000002 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.89 115.47 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 72.109999999999999 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.73 122.36 22.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 72.109999999999999 110.952 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 56.1 t -113.19 128.52 69.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 71.400000000000006 111.092 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.05 101.88 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 63.210000000000001 111.12 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.5 p -127.25 160.53 31.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.893 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.81 -177.01 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 72.420000000000002 110.879 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 29.8 mm -120.43 -32.5 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 63.299999999999997 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -162.88 157.82 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.901 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.34 -19.57 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 75.219999999999999 110.955 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -95.79 32.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.430000000000007 110.906 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -82.18 56.81 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 72.099999999999994 110.857 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -143.36 146.73 33.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 71.319999999999993 110.862 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -158.18 138.88 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 64.519999999999996 110.812 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -104.05 162.98 12.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 74.010000000000005 110.905 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -156.1 176.34 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.873 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 72.530000000000001 110.868 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 121.41 0.45 . . . . 71.430000000000007 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 149.64 67.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 75.340000000000003 112.351 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 82.1 mt -110.22 -33.76 6.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.949 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.1 73.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 70.239999999999995 112.452 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 42.7 m -136.81 142.81 42.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 75.209999999999994 110.782 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.2 t -113.9 63.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 75.299999999999997 110.895 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.6 142.89 50.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 54.310000000000002 110.96 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -172.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 74.019999999999996 110.936 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -59.35 175.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 74.5 111.154 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 19.7 m -60.82 -170.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.843 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -96.25 -21.25 17.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.319999999999993 110.962 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.34 -30.85 42.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 74.519999999999996 111.124 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -52.62 44.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 65.519999999999996 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -55.58 -37.34 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 75.400000000000006 110.874 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 89.5 t -67.81 -60.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.329999999999998 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -56.32 -30.25 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.219999999999999 110.816 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.59 -43.82 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 75.540000000000006 110.927 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 72.030000000000001 111.095 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.97 -44.76 30.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 64.209999999999994 111.135 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.62 -47.58 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 45.329999999999998 111.094 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -66.98 -25.41 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 110.954 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -94.14 55.04 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 73.420000000000002 110.844 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.84 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.2 mtm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 73.120000000000005 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.97 48.24 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 111.079 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -139.46 174.07 10.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 74.120000000000005 110.839 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.3 mtt -137.19 179.07 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.299999999999997 110.885 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -51.9 146.23 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 72.129999999999995 111.199 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.17 39.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 74.109999999999999 112.516 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.71 140.81 3.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 61.229999999999997 112.509 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -123.25 83.91 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.735 0.302 . . . . 73.409999999999997 110.976 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -123.37 96.32 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.450000000000003 110.932 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.0 ttt -139.86 145.78 38.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 70.530000000000001 110.839 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.26 -162.23 12.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.647 -0.787 . . . . 75.230000000000004 112.432 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -107.16 129.72 54.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 74.329999999999998 110.906 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.14 160.66 42.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 70.519999999999996 110.867 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -11.29 30.52 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.248 . . . . 74.530000000000001 112.355 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -96.56 18.69 13.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 70.120000000000005 110.873 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -97.38 39.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.955 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -100.15 -179.56 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.893 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.53 123.62 47.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.150000000000006 110.86 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -130.59 4.97 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.319999999999993 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -75.01 -14.88 60.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.895 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.65 15.3 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 73.319999999999993 110.949 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 1.631 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 11.1 m-85 -92.78 172.96 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 75.439999999999998 110.883 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -70.46 160.82 31.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.030000000000001 110.873 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -102.01 26.92 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.889 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.49 120.45 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 75.150000000000006 112.467 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.15 36.14 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 73.209999999999994 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.26 89.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 62.130000000000003 112.476 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.71 -123.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.803 -0.713 . . . . 63.229999999999997 112.494 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.99 52.67 0.63 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.772 . . . . 70.239999999999995 112.446 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -52.7 141.71 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 75.439999999999998 110.911 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.46 96.05 0.83 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 61.32 112.457 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.08 134.15 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 74.310000000000002 111.125 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.98 37.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 t -152.52 40.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 73.530000000000001 111.116 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 145.78 151.49 5.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 72.439999999999998 112.448 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.58 176.0 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 74.5 111.068 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -111.87 113.52 25.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 74.239999999999995 110.907 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.48 118.49 33.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.129999999999995 110.93 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.4 tp -97.41 108.18 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.420000000000002 110.901 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.7 t -91.24 145.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 111.116 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -150.58 164.57 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.5 110.866 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t30 63.7 36.2 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 110.941 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.94 159.34 15.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.099999999999994 110.893 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -54.77 177.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.871 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.621 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 37.0 m-85 -91.89 -10.08 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 75.430000000000007 110.94 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.42 -19.07 62.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 71.219999999999999 112.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.9 p -50.2 147.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 75.409999999999997 111.163 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -149.57 166.04 30.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.349999999999994 110.882 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.43 -59.1 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 70.519999999999996 110.858 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.54 81.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 111.061 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -61.01 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 72.209999999999994 110.821 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.43 -33.47 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.140000000000001 111.095 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -61.27 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 75.040000000000006 110.864 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -62.23 -47.45 84.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.439999999999998 110.86 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.17 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 110.908 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -59.42 -28.79 67.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.219999999999999 110.86 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.56 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.030000000000001 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.71 -30.42 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.817 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 22.4 m-85 -67.26 -52.18 43.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.837 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.93 -99.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 75.129999999999995 112.51 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -138.97 136.37 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 73.319999999999993 111.145 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.9 mt -112.77 146.5 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 72.140000000000001 110.918 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -31.99 11.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.94 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -158.21 153.57 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 74.510000000000005 110.865 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.69 127.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 74.420000000000002 111.09 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.47 157.49 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 43.399999999999999 111.119 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.3 p -125.49 152.58 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.099999999999994 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -97.6 127.8 43.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 65.519999999999996 110.891 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -120.42 162.73 19.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.921 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -104.59 -177.28 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.908 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -63.23 -26.73 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.865 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.3 m -74.71 -22.32 58.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 72.140000000000001 110.834 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.11 41.51 4.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 75.400000000000006 112.449 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -141.67 151.55 43.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 74.420000000000002 110.885 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.09 114.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.430000000000007 110.88 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.15 -24.64 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.96 5.74 7.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 61.25 112.513 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.3 p -143.23 141.95 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 64.319999999999993 111.191 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -128.64 164.35 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 75.409999999999997 111.07 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -138.65 109.51 6.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.209999999999994 110.879 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -125.96 128.95 72.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 75.030000000000001 111.168 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -94.6 121.45 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.349999999999994 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -80.17 146.02 32.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.140000000000001 110.853 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.76 -15.6 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 73.409999999999997 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 144.71 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.030000000000001 110.849 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -32.47 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.319999999999993 110.835 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.65 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 74.120000000000005 111.024 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.05 -28.28 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.25 -50.94 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.209999999999994 111.08 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.27 -43.31 86.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.420000000000002 110.882 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -46.22 83.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.933 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -62.33 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 74.310000000000002 111.14 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.91 -32.67 46.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 73.319999999999993 110.942 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -77.06 -29.8 55.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 73.420000000000002 110.876 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -10.86 45.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 72.120000000000005 110.869 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -105.66 -43.77 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 74.239999999999995 110.878 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -50.97 112.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 75.049999999999997 110.891 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.02 0.65 31.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 72.349999999999994 112.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -81.78 113.1 40.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 73.109999999999999 111.177 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 130.1 18.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 60.009999999999998 112.358 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.9 tp -127.16 97.85 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.299999999999997 110.911 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.35 35.62 20.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 75.120000000000005 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.91 38.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 74.319999999999993 112.448 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.1 96.57 7.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 73.439999999999998 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.02 4.38 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.699 2.266 . . . . 72.030000000000001 112.34 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mtp -61.06 145.59 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.530000000000001 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -132.89 109.75 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 72.109999999999999 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.26 135.36 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 73.239999999999995 111.137 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.72 115.56 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.530000000000001 110.872 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 25.8 tp -71.78 124.85 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 74.120000000000005 110.88 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t -114.81 125.53 72.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 74.420000000000002 111.149 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -95.82 95.66 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.109999999999999 111.073 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.0 t -175.66 153.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 73.150000000000006 110.919 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -171.58 155.03 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.875 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 65.9 mt -116.48 -42.73 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 111.145 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.46 77.16 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.0 110.941 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 pp -82.0 -29.5 32.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.93 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -73.93 -57.9 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 65.519999999999996 110.879 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.9 t60 55.73 45.77 23.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.492 . . . . 72.409999999999997 110.921 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -156.93 144.43 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.450000000000003 110.814 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -100.34 148.91 24.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.409999999999997 110.794 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -135.41 140.33 44.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -152.94 115.07 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 70.25 110.917 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 13.0 p80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 71.129999999999995 110.856 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.381 0.434 . . . . 74.129999999999995 112.447 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -33.38 16.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 64.219999999999999 112.395 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.09 125.6 47.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 75.120000000000005 110.97 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.19 -92.41 0.68 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 60.310000000000002 112.569 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.5 m 52.37 36.26 19.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.938 0.399 . . . . 74.540000000000006 110.905 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 5.8 t -88.95 116.2 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 71.049999999999997 110.834 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 11.9 p -127.46 29.47 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 75.319999999999993 110.877 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.48 -16.22 10.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 75.049999999999997 110.918 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -130.31 174.94 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.530000000000001 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 28.1 m -73.04 150.58 42.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.857 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -56.98 -26.37 59.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 73.209999999999994 110.837 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.01 -35.85 59.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 72.310000000000002 111.06 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -55.9 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 65.019999999999996 110.836 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -51.2 -44.57 61.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 62.4 t -62.63 -45.0 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 73.439999999999998 111.168 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -60.14 -37.53 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 70.5 110.828 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -70.51 -43.73 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.66 96.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 62.210000000000001 111.092 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.46 -38.68 62.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 65.239999999999995 111.046 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.51 -53.6 43.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 71.040000000000006 111.128 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -63.74 -26.91 68.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 72.530000000000001 110.918 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -88.32 55.03 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 110.886 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 72.530000000000001 110.863 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.9 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.723 0.297 . . . . 75.239999999999995 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.2 174.86 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 60.229999999999997 111.1 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.1 p -157.52 -178.68 7.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 63.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.7 mtp -120.41 126.42 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.851 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -152.82 141.7 21.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 73.129999999999995 111.207 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.06 -177.69 18.26 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.75 . . . . 72.409999999999997 112.487 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.31 129.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 41.43 112.52 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -172.47 124.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.738 0.304 . . . . 71.349999999999994 110.918 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -153.6 115.01 4.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 75.519999999999996 110.937 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.3 mtt -144.7 133.98 23.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 75.549999999999997 110.944 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.13 146.76 5.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 75.219999999999999 112.457 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -95.87 130.72 42.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.349 . . . . 74.120000000000005 110.896 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.07 160.56 42.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 72.109999999999999 110.882 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.13 32.19 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.697 2.265 . . . . 61.439999999999998 112.33 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.14 -26.49 38.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 65.310000000000002 110.843 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -115.13 29.03 8.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 110.888 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -104.48 152.99 21.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 74.109999999999999 110.926 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -146.5 151.42 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.150000000000006 110.881 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -115.86 -24.28 8.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 74.150000000000006 110.819 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.75 -18.93 61.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 75.540000000000006 110.874 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.59 10.27 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 110.92 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -101.15 159.72 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.120000000000005 110.866 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -135.7 172.19 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 64.310000000000002 110.881 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.4 p -157.9 98.3 1.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 75.400000000000006 110.891 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.6 117.12 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.768 . . . . 53.130000000000003 112.498 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.4 t -73.95 167.68 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.876 0.369 . . . . 74.109999999999999 110.846 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.04 -157.47 7.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 65.540000000000006 112.526 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.81 170.49 12.36 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 74.299999999999997 112.404 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.49 97.9 2.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 63.299999999999997 112.527 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.82 158.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.367 . . . . 72.219999999999999 110.906 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.51 -98.33 0.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 70.439999999999998 112.505 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.4 t -141.47 141.64 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 75.120000000000005 111.056 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.59 47.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 65.540000000000006 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.3 t -144.22 14.46 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 111.191 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 135.84 157.63 7.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 73.409999999999997 112.506 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.85 154.05 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 72.219999999999999 111.104 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -93.89 112.47 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 110.914 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mp -96.79 139.25 33.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.854 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.0 tp -118.15 115.41 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.010000000000005 110.906 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 145.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 73.120000000000005 111.154 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m -148.22 158.64 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.319999999999993 110.911 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.73 45.54 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 75.109999999999999 110.974 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.16 160.79 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 72.209999999999994 110.976 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.11 177.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.219999999999999 110.829 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.67 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 42.4 m-85 -92.57 -14.38 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.519999999999996 110.899 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.52 -15.36 76.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 74.25 112.482 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.5 p -50.51 146.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 65.25 111.111 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -150.19 166.26 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 110.853 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.6 -59.67 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.310000000000002 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.52 77.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 111.144 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -60.42 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 74.219999999999999 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.5 pt -61.0 -28.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 73.549999999999997 111.149 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -60.63 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.140000000000001 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.2 -47.16 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 65.5 110.901 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.29 -66.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.349999999999994 110.894 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.93 -29.56 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 75.209999999999994 110.919 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.23 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.019999999999996 111.091 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -30.53 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.150000000000006 110.904 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.658 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 25.3 m-85 -69.55 -51.35 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 71.329999999999998 110.847 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.61 -104.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 71.040000000000006 112.464 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 m -130.39 145.43 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 74.430000000000007 111.107 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.4 mt -124.8 147.32 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.210000000000001 110.883 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -101.49 -26.83 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 110.912 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.08 151.12 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.907 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.37 107.0 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 70.349999999999994 111.083 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.68 157.23 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 73.230000000000004 111.148 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -127.31 149.39 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 111.127 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.5 129.91 37.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 71.310000000000002 110.909 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.39 155.97 27.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 64.420000000000002 110.949 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -95.88 178.77 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 110.876 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -25.77 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.129999999999995 110.942 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -74.79 -22.28 58.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 70.549999999999997 110.823 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.74 22.11 13.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 72.310000000000002 112.539 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -124.4 156.77 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.328 . . . . 72.200000000000003 110.914 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.7 t -52.97 118.43 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.85 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.82 -24.6 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.349999999999994 110.936 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.98 -15.62 5.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.676 -0.773 . . . . 42.219999999999999 112.491 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.9 p -134.84 142.18 46.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 75.310000000000002 111.12 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.79 169.77 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 111.06 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.0 114.97 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.874 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.7 t -120.47 125.51 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 74.5 111.094 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.03 114.07 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.883 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -84.84 146.82 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 110.889 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -83.17 -15.31 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.420000000000002 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.92 142.97 42.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 64.430000000000007 110.871 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -75.11 -43.94 49.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.859 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 111.15 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.64 -35.17 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.864 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.28 95.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 111.108 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.77 -46.39 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 74.099999999999994 110.91 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -64.07 -40.5 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.049999999999997 110.903 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.07 -61.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.075 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -33.05 60.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.040000000000006 110.828 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -78.87 -28.22 44.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 74.230000000000004 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.93 -11.03 45.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 74.340000000000003 110.919 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -107.05 -43.81 4.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 71.530000000000001 110.944 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -50.08 112.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 70.239999999999995 110.911 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.09 4.52 33.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 73.430000000000007 112.464 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.5 t -86.22 112.47 46.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 75.319999999999993 111.128 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.63 17.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.239 . . . . 63.310000000000002 112.378 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.8 tp -124.95 97.81 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.510000000000005 110.929 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 51.42 35.23 13.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 75.420000000000002 110.862 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.68 20.01 32.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 72.530000000000001 112.543 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.97 95.19 7.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 74.329999999999998 110.819 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.05 4.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 71.430000000000007 112.321 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.7 mtp -63.6 146.74 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 74.030000000000001 110.828 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -135.5 108.88 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 55.009999999999998 110.901 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.62 135.5 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 111.108 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.65 114.36 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.120000000000005 110.937 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.5 tt -74.48 131.28 40.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.409999999999997 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 73.0 t -121.21 127.19 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 62.310000000000002 111.146 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.06 95.43 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 71.530000000000001 111.07 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.8 p -140.8 40.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 71.430000000000007 110.884 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -123.24 149.92 44.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.409999999999997 110.861 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 30.7 mm -120.18 -47.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 74.219999999999999 111.093 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 38.8 t70 52.19 53.41 12.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 75.340000000000003 110.906 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.51 -24.63 27.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.923 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -56.15 -26.67 51.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.834 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 57.64 37.51 27.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.030000000000001 110.883 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -73.24 -27.38 61.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 110.853 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -70.53 167.01 19.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.519999999999996 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -171.25 162.58 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.864 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -101.13 160.13 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 75.239999999999995 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 72.510000000000005 110.827 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 121.48 0.489 . . . . 74.340000000000003 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 110.73 2.62 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.716 2.277 . . . . 71.5 112.355 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -97.48 179.61 4.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 74.150000000000006 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.01 78.79 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 64.109999999999999 112.512 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.1 p -112.17 142.39 44.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 74.049999999999997 110.895 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -81.54 57.57 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.771 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.18 150.58 23.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 63.229999999999997 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.57 -18.82 11.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 73.200000000000003 110.883 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.7 t -152.29 173.18 15.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 75.400000000000006 111.189 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 54.4 m -65.96 -173.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 74.319999999999993 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -88.56 -23.49 23.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 73.200000000000003 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.52 -25.17 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 54.020000000000003 111.103 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -69.31 -55.63 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 73.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -50.65 -49.38 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.450000000000003 110.872 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 6.5 p -66.8 -37.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.450000000000003 111.11 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -58.98 -40.14 83.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 70.409999999999997 110.856 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.2 -42.24 56.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.510000000000005 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.87 -44.78 78.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 64.319999999999993 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.2 -47.33 20.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 72.420000000000002 111.1 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.94 -34.42 65.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 54.43 111.106 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -63.97 -27.08 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 74.049999999999997 110.959 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -95.88 33.54 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 73.430000000000007 110.867 -179.855 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.8 ttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.687 0.279 . . . . 75.420000000000002 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.36 76.62 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 71.420000000000002 111.101 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -70.95 107.09 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 110.847 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -34.64 78.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 75.129999999999995 110.869 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.6 p -54.03 131.87 41.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 75.519999999999996 111.147 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.25 147.13 18.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 75.129999999999995 112.523 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.58 -20.0 11.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 63.310000000000002 112.515 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -78.91 75.52 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 75.310000000000002 110.927 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -70.59 171.72 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 70.099999999999994 110.891 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.2 ttt -118.24 139.22 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.329999999999998 110.904 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.19 112.08 3.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.805 -0.712 . . . . 74.340000000000003 112.485 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -114.77 157.12 23.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 72.019999999999996 110.912 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 160.69 81.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 63.140000000000001 110.92 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.91 -17.0 37.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.633 2.222 . . . . 72.310000000000002 112.353 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.24 -30.34 43.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 72.510000000000005 110.833 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -68.51 -28.37 66.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 110.894 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -52.23 127.23 21.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 74.140000000000001 110.914 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -65.94 151.74 46.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 74.420000000000002 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -99.16 37.85 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 110.84 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -87.94 -26.19 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 110.835 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -87.25 10.7 16.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.923 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -93.67 179.32 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 110.836 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -108.05 121.57 45.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 71.019999999999996 110.849 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.76 -30.29 32.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 71.230000000000004 110.866 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.56 114.28 0.88 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 74.239999999999995 112.542 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 p -127.83 35.99 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 64.129999999999995 110.873 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.85 67.48 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 52.100000000000001 112.413 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.75 60.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 62.43 112.515 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.47 -51.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.763 . . . . 71.319999999999993 112.458 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.61 132.81 54.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 64.200000000000003 110.912 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.08 97.75 1.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 62.210000000000001 112.491 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 t -140.71 142.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 63.119999999999997 111.19 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.61 48.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.319999999999993 110.916 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 t -149.1 17.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 72.209999999999994 111.158 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.44 148.13 4.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 73.200000000000003 112.523 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.98 152.64 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 74.109999999999999 111.085 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -86.8 122.71 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.109999999999999 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.18 121.41 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.049999999999997 110.872 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 tp -98.51 126.05 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 72.209999999999994 110.875 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.8 t -105.19 142.79 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 111.092 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m -149.1 161.57 41.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.862 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.89 45.06 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 75.319999999999993 110.906 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.36 159.35 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 72.219999999999999 110.962 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.61 177.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 110.805 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.63 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 34.3 m-85 -93.78 -5.31 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 73.349999999999994 110.917 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.01 -15.09 56.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 71.510000000000005 112.518 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.1 p -49.11 146.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 74.409999999999997 111.177 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.64 159.44 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 110.794 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.57 -49.82 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 71.420000000000002 110.82 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.49 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 50.229999999999997 111.101 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -52.04 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.1 pt -67.01 -37.73 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.142 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -60.23 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 110.938 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -47.45 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 74.230000000000004 110.83 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.74 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.847 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -57.43 -29.98 64.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.878 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.23 72.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 75.019999999999996 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.81 -30.67 34.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.420000000000002 110.943 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.654 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 21.6 m-85 -68.33 -52.03 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 75.099999999999994 110.885 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.51 -99.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.805 -0.712 . . . . 70.219999999999999 112.52 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -142.88 134.3 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 74.230000000000004 111.113 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.2 mt -109.86 149.58 29.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 72.340000000000003 110.892 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -103.2 -27.42 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 75.400000000000006 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 154.7 26.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 73.049999999999997 110.918 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.35 129.48 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.310000000000002 111.152 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.99 157.35 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 72.239999999999995 111.125 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.77 149.5 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.33 124.05 38.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.869 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -117.56 149.76 40.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 72.340000000000003 110.917 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -94.44 169.34 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 62.130000000000003 110.867 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -24.57 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.109999999999999 110.845 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.84 -22.3 62.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 110.899 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.49 25.81 9.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 73.109999999999999 112.523 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -134.56 152.72 51.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 73.140000000000001 110.866 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.7 t -51.81 128.93 25.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.200000000000003 110.878 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.74 -25.26 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.299999999999997 110.898 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.78 -1.01 7.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 72.340000000000003 112.427 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.7 p -142.56 142.07 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 71.319999999999993 111.145 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -124.61 169.84 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 74.030000000000001 111.051 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.03 125.4 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 60.140000000000001 110.807 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.28 142.13 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 71.219999999999999 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -95.1 126.98 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 71.420000000000002 110.812 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -93.52 139.42 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 74.239999999999995 110.823 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.82 -24.97 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 71.400000000000006 110.88 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.2 142.07 47.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 72.239999999999995 110.948 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.26 62.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.310000000000002 110.893 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -63.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 73.200000000000003 111.118 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.37 -34.02 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.842 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.53 -45.77 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 111.134 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.64 -49.5 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.099999999999994 110.874 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.98 -41.17 97.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.219999999999999 110.913 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.43 -62.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 64.209999999999994 111.102 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -31.74 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.200000000000003 110.906 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -77.23 -29.76 54.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 65.310000000000002 110.951 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -89.65 -12.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -103.89 -42.43 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -50.77 112.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.811 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 2.64 31.04 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 61.43 112.51 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -83.15 112.64 40.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 74.349999999999994 111.079 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 132.16 22.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.653 2.235 . . . . 74.409999999999997 112.352 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.85 98.22 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.903 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.9 t0 54.3 38.04 28.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 65.439999999999998 110.85 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.98 21.04 51.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.400000000000006 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -140.9 95.5 7.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 75.239999999999995 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 115.77 4.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 74.420000000000002 112.354 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.8 mtp -60.1 147.39 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.0 107.63 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 64.549999999999997 110.843 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.0 mp -109.27 140.61 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 111.172 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.69 127.38 48.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.873 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.97 117.08 25.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.549999999999997 110.957 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 55.6 t -117.78 120.73 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.409999999999997 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -112.58 93.85 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.340000000000003 111.111 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.3 m -134.13 92.22 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 75.400000000000006 110.913 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -170.56 170.45 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.540000000000006 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.15 -38.87 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 71.430000000000007 111.122 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.1 t70 56.04 47.93 18.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.310000000000002 110.89 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.7 pp -87.05 -26.64 23.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.140000000000001 111.001 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.3 -32.44 71.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 110.945 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -117.79 112.78 20.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 73.530000000000001 110.851 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -128.25 163.03 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 74.510000000000005 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -128.9 156.11 44.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.299999999999997 110.851 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -105.32 156.57 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.530000000000001 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -76.43 106.64 8.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 74.219999999999999 110.871 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.49 0.494 . . . . 70.239999999999995 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 145.48 57.25 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.683 2.255 . . . . 74.120000000000005 112.416 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 2.6 tp -171.41 127.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 73.340000000000003 110.932 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.44 23.3 20.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 52.229999999999997 112.528 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.0 t -72.78 140.04 47.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 75.540000000000006 110.837 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.98 51.28 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 63.200000000000003 110.779 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 89.3 m -105.89 177.64 4.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -75.46 -27.21 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.9 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.1 t -175.54 175.99 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 73.120000000000005 111.114 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 149.35 38.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 74.019999999999996 110.854 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 60.1 t90 -54.16 -28.32 39.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 74.019999999999996 110.905 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.23 -31.92 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 74.319999999999993 111.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.79 -58.89 5.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 62.109999999999999 110.824 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -51.01 -34.07 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.310000000000002 110.841 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.58 -60.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 111.14 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -57.26 -24.79 57.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.299999999999997 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.49 -46.1 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.82 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.9 72.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 71.439999999999998 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.8 -46.45 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 111.123 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.03 61.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 73.310000000000002 111.152 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -60.05 -26.12 65.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.209999999999994 110.925 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -89.1 60.82 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.200000000000003 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 70.129999999999995 110.887 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.735 0.303 . . . . 70.340000000000003 110.829 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.08 152.0 44.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 74.420000000000002 111.06 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -101.07 -177.53 3.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 72.510000000000005 110.862 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.4 mtp -92.27 104.38 16.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 63.149999999999999 110.837 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 t -174.74 130.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.040000000000006 111.191 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.93 51.71 4.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 63.5 112.469 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.07 113.2 3.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 75.530000000000001 112.469 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -76.75 70.44 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 74.510000000000005 110.914 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -105.22 43.09 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 75.030000000000001 110.893 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.3 mtt -95.76 139.38 32.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 65.340000000000003 110.93 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.32 97.6 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 72.319999999999993 112.482 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -65.28 128.91 37.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 73.219999999999999 110.869 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.54 158.51 1.47 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.582 0.706 . . . . 72.239999999999995 110.858 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.79 -18.52 36.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 71.040000000000006 112.322 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.97 -28.66 65.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 73.019999999999996 110.847 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -52.81 -32.38 43.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -52.74 140.32 24.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 72.010000000000005 110.938 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -116.16 67.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 64.209999999999994 110.894 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 53.0 33.29 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.129999999999995 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -78.06 -35.11 49.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 71.120000000000005 110.849 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.92 10.95 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.129999999999995 110.951 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 1.627 ' HD1' ' CD2' ' A' ' 61' ' ' PHE . 22.4 m-85 -117.05 158.58 23.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.942 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -116.99 65.85 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 110.843 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -100.68 -30.25 11.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 70.25 110.801 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.03 21.25 18.38 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.673 -0.775 . . . . 74.109999999999999 112.519 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.5 t -156.96 149.06 22.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.342 . . . . 71.109999999999999 110.886 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.77 -94.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 72.329999999999998 112.454 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.85 -50.38 0.89 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 71.329999999999998 112.52 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.64 -36.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 71.319999999999993 112.466 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.08 126.62 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.973 0.416 . . . . 70.019999999999996 110.93 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.26 80.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 74.319999999999993 112.55 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.2 t -126.89 131.16 71.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 73.540000000000006 111.146 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.55 36.91 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 71.099999999999994 110.859 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.4 t -148.29 38.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.120000000000005 111.143 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.66 148.61 4.88 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 64.310000000000002 112.509 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.66 164.47 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 74.120000000000005 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -100.56 113.88 27.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.519999999999996 110.843 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -97.78 129.17 44.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 71.420000000000002 110.879 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.5 tp -109.48 126.21 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.510000000000005 110.903 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.7 t -103.65 146.47 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.420000000000002 111.18 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 p -149.92 158.85 44.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.872 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t30 64.44 44.32 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.450000000000003 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.44 159.5 16.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 74.140000000000001 110.919 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -55.25 177.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 75.340000000000003 110.835 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 43.0 p90 -93.13 -10.99 33.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 74.439999999999998 110.903 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.05 -17.02 66.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 74.120000000000005 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.6 p -49.57 146.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 65.430000000000007 111.145 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.45 165.29 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 64.319999999999993 110.914 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.62 -60.03 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 110.888 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.91 76.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.109999999999999 111.097 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 72.340000000000003 110.871 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.7 pt -61.66 -28.98 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 111.11 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -60.79 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 72.099999999999994 110.95 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.4 -47.27 86.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 65.430000000000007 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 71.400000000000006 110.897 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -57.76 -29.36 64.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.886 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.42 70.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 111.092 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -30.08 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.659 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 21.4 m-85 -69.98 -49.61 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 64.200000000000003 110.842 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.09 -106.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 70.310000000000002 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -129.91 143.55 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 70.329999999999998 111.158 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.6 mt -122.46 147.75 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.310000000000002 110.926 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -28.01 11.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.019999999999996 110.864 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -156.99 149.03 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 73.230000000000004 110.921 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.38 112.16 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 65.409999999999997 111.096 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.31 156.26 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.16 149.66 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 75.209999999999994 111.062 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.88 126.23 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 53.100000000000001 110.845 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.6 149.77 37.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 75.450000000000003 110.946 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -89.31 -176.84 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 70.510000000000005 110.908 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -65.2 -28.08 69.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 65.319999999999993 110.843 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -74.3 -22.34 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.099999999999994 110.885 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.32 33.22 5.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 75.219999999999999 112.507 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.8 mmt-85 -134.34 154.63 51.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 70.530000000000001 110.924 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -52.0 120.95 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 41.43 110.816 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.98 -27.8 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 75.209999999999994 110.934 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.43 -11.03 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.788 -0.72 . . . . 71.299999999999997 112.504 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 52.3 p -140.72 141.84 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 54.340000000000003 111.119 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -121.76 166.3 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 71.439999999999998 111.124 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -127.43 131.5 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 72.349999999999994 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.45 125.03 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 74.200000000000003 111.081 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -95.19 119.44 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 110.817 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -90.1 145.33 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.549999999999997 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -79.87 -15.73 56.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 70.530000000000001 110.909 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.71 136.38 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 75.239999999999995 110.875 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -31.22 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.530000000000001 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.02 -64.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.040000000000006 111.085 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.68 -34.53 59.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 62.020000000000003 110.777 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.73 -60.17 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 73.030000000000001 111.08 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.75 -51.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.5 110.943 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.4 -43.16 98.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 74.010000000000005 110.882 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.7 -61.66 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 72.420000000000002 111.128 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -59.79 -29.64 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.540000000000006 110.913 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -74.46 -30.19 61.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -17.29 26.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.975 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -96.22 -43.91 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.913 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -49.64 112.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 75.420000000000002 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.24 3.24 29.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 72.030000000000001 112.486 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.8 t -85.02 112.75 45.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 72.25 111.135 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 129.42 17.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 72.439999999999998 112.304 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.08 97.94 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 73.219999999999999 110.912 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.25 33.96 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 53.200000000000003 110.928 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.43 19.75 31.71 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.652 -0.785 . . . . 41.32 112.431 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -141.11 98.66 6.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 71.450000000000003 110.9 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.23 4.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.252 . . . . 71.299999999999997 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -62.96 143.08 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 72.310000000000002 110.863 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -132.38 108.27 9.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.140000000000001 110.859 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.64 144.53 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 111.152 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.98 144.42 48.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 71.310000000000002 110.862 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.15 130.61 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 71.519999999999996 110.915 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.6 119.55 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.120000000000005 111.137 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -93.46 90.03 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.030000000000001 111.081 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 94.4 p -158.05 126.92 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.519999999999996 110.845 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.0 148.71 48.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 73.439999999999998 110.887 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.45 -57.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 111.122 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -174.54 101.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 75.230000000000004 110.769 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.1 -4.55 58.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 73.310000000000002 110.869 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -95.98 28.29 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 64.340000000000003 110.919 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -66.3 -33.92 76.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 74.430000000000007 110.853 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -62.08 125.97 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.896 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -69.01 160.42 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 62.409999999999997 110.842 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -167.48 160.55 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 62.130000000000003 110.84 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -142.94 118.18 10.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 64.439999999999998 110.867 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 11.3 t60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 72.430000000000007 110.839 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 121.43 0.461 . . . . 75.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -17.11 38.1 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.673 2.248 . . . . 74.540000000000006 112.404 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mp -91.42 62.93 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.329999999999998 110.921 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.28 -113.82 0.83 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.678 -0.773 . . . . 64.540000000000006 112.45 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 24.5 m -63.4 126.44 27.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.933 0.397 . . . . 73.129999999999995 110.916 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 97.9 p -86.19 112.97 21.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 72.010000000000005 110.863 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 54.1 t -81.93 99.05 8.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.420000000000002 110.863 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 -171.76 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 74.150000000000006 110.916 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.7 t -55.52 175.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 65.120000000000005 111.191 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.7 m -63.26 -178.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.310000000000002 110.857 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 64.2 t90 -83.4 -25.98 30.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 75.430000000000007 110.918 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.51 -22.76 50.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 111.118 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -56.86 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.239999999999995 110.88 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -50.06 -49.0 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 64.5 110.815 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 p -66.8 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 111.174 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -66.4 -40.33 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 74.230000000000004 110.816 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.54 -28.69 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 110.91 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.68 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 72.120000000000005 111.115 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.46 30.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 75.150000000000006 111.095 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.6 -41.26 61.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 63.299999999999997 111.121 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -76.5 -25.66 54.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 72.109999999999999 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.5 mtt-85 -89.04 65.24 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.839 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 75.310000000000002 110.839 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.6 mmt . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.785 0.326 . . . . 73.209999999999994 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.24 163.62 36.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 74.230000000000004 111.113 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 p -148.51 160.82 42.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.856 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.43 145.32 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 t -112.48 138.08 49.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 75.200000000000003 111.189 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.83 -113.66 0.58 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 65.010000000000005 112.497 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.2 -116.67 0.73 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 73.209999999999994 112.504 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 58.33 47.39 14.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 65.510000000000005 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -82.86 136.32 34.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 75.439999999999998 110.929 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.0 tpt -133.56 90.69 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.882 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.04 166.38 12.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 64.530000000000001 112.53 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -88.75 141.72 28.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 74.439999999999998 110.897 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.53 160.43 69.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 75.239999999999995 110.908 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -15.59 37.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.736 2.29 . . . . 73.230000000000004 112.354 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -77.4 -32.05 54.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 73.530000000000001 110.887 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -99.63 22.94 10.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 73.400000000000006 110.878 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -12.68 60.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.230000000000004 110.928 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -96.75 133.17 41.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.913 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -143.58 38.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.922 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -88.11 -27.95 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 75.340000000000003 110.906 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.15 5.25 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 75.510000000000005 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -51.32 158.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 75.519999999999996 110.902 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -134.45 -176.06 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.849 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.8 p -101.84 64.28 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 74.140000000000001 110.873 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.23 68.27 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 64.209999999999994 112.52 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.4 t -140.1 158.96 43.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.875 0.369 . . . . 64.230000000000004 110.909 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.14 123.62 0.69 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 44.329999999999998 112.468 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.09 20.06 5.99 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 71.239999999999995 112.472 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.57 57.69 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.793 -0.718 . . . . 63.310000000000002 112.525 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -108.84 145.34 35.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.352 . . . . 72.219999999999999 110.872 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.2 77.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 63.030000000000001 112.46 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.6 t -134.25 134.37 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 75.129999999999995 111.091 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.43 49.2 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 72.239999999999995 110.862 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 t -146.66 15.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 74.099999999999994 111.138 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.23 164.15 10.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 74.310000000000002 112.565 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.58 167.42 21.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 72.430000000000007 111.086 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -104.89 113.53 27.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.59 140.31 29.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.874 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.06 109.38 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.129999999999995 110.929 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 72.319999999999993 111.147 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -146.39 158.52 43.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 65.109999999999999 110.858 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.77 44.95 4.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 74.319999999999993 110.922 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.95 161.68 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.219999999999999 110.895 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.81 177.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 63.350000000000001 110.866 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -96.88 5.98 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 73.409999999999997 110.838 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.95 -4.81 44.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 73.209999999999994 112.535 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.8 t -51.54 147.76 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.342 . . . . 65.439999999999998 111.146 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.34 160.21 43.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 110.893 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -56.04 10.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 74.310000000000002 110.902 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.35 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.140000000000001 111.153 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -54.49 45.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 74.340000000000003 110.872 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.7 pt -67.29 -31.39 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.149 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -61.38 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 74.519999999999996 110.947 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.0 -47.62 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 71.219999999999999 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.23 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 75.040000000000006 110.891 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -59.52 -27.6 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.319999999999993 110.88 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.3 71.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 111.078 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.73 -30.58 56.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 65.209999999999994 110.877 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 20.1 m-85 -68.74 -51.05 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 73.430000000000007 110.823 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.56 -100.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 73.099999999999994 112.426 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -134.7 143.75 47.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 65.209999999999994 111.128 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.0 mt -120.23 144.65 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 73.439999999999998 110.913 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -99.7 -27.01 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 74.120000000000005 110.928 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 157.85 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 74.450000000000003 110.847 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.23 131.76 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 65.510000000000005 111.088 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.55 154.45 42.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 71.5 111.08 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.77 139.88 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 73.25 111.101 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 131.78 35.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 74.510000000000005 110.971 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -126.71 149.03 49.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.23 -0.441 . . . . 63.020000000000003 110.969 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.28 -173.31 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 73.340000000000003 110.867 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.0 ptt-85 -74.82 -19.14 60.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 75.140000000000001 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.9 m -86.56 -22.46 26.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 72.319999999999993 110.858 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.16 50.0 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.714 . . . . 73.319999999999993 112.479 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -145.36 151.05 37.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 74.319999999999993 110.88 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.53 129.13 24.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 110.855 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.84 -20.91 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.200000000000003 110.918 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.06 -15.83 6.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.671 -0.776 . . . . 71.430000000000007 112.56 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.4 p -137.14 141.91 42.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 71.319999999999993 111.16 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -126.82 168.12 14.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 70.230000000000004 111.073 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.29 125.64 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 44.109999999999999 110.867 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.1 t -128.13 131.2 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 62.109999999999999 111.102 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -96.59 114.18 25.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 74.430000000000007 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -86.99 140.82 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 72.420000000000002 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.92 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 63.219999999999999 110.833 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 146.07 49.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -74.68 -35.4 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 75.140000000000001 110.824 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.98 -63.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 75.519999999999996 111.149 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.11 -28.08 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 74.340000000000003 110.912 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.59 -45.68 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 111.049 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.62 -44.51 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 110.927 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -64.53 -45.27 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 74.409999999999997 110.913 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.86 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 111.181 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -34.28 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 73.430000000000007 110.859 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -78.12 -27.68 48.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -10.97 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.200000000000003 110.94 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -107.87 -42.42 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 110.915 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -50.94 112.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 74.319999999999993 110.93 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.68 2.87 34.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 74.310000000000002 112.515 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -85.14 112.81 46.24 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 121.597 0.713 . . . . 72.340000000000003 111.115 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 129.91 18.38 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.737 2.291 . . . . 73.299999999999997 112.276 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.8 tp -125.4 97.92 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 110.846 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.3 t70 51.75 35.33 14.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 110.822 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.21 20.13 33.81 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 45.009999999999998 112.498 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -141.21 95.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.571 0.701 . . . . 65.049999999999997 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 116.12 4.4 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.684 2.256 . . . . 75.049999999999997 112.4 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.8 mtp -64.37 149.01 49.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 75.299999999999997 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -138.44 107.53 6.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.420000000000002 110.89 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.55 132.52 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.540000000000006 111.169 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.87 115.94 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.5 tt -76.89 127.14 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 73.230000000000004 110.933 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.5 t -115.62 124.78 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 75.540000000000006 111.09 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -96.04 99.96 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.0 111.12 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.0 t -169.22 144.08 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 73.129999999999995 110.865 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -123.69 147.89 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 65.420000000000002 110.929 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.9 mt -117.08 -22.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 111.129 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.34 81.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 110.908 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 92.0 mt -86.12 -42.83 13.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 70.530000000000001 110.964 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -73.29 -37.27 66.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.842 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -53.8 125.38 18.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.845 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -127.89 149.13 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.129999999999995 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -127.04 70.84 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 74.209999999999994 110.841 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -140.35 148.51 41.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 72.310000000000002 110.846 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -89.61 121.29 31.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 74.030000000000001 110.829 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 73.5 110.867 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.432 0.462 . . . . 64.230000000000004 112.43 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 170.56 16.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.632 2.221 . . . . 72.329999999999998 112.322 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 mp -113.39 167.05 10.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 74.129999999999995 110.964 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -152.62 128.72 2.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 72.329999999999998 112.576 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 46.8 p -175.69 147.14 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.929 0.395 . . . . 71.150000000000006 110.856 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.3 p -175.8 158.13 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 63.539999999999999 110.875 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 7.2 t -63.81 -41.85 97.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 110.847 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.0 -170.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 72.310000000000002 110.884 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -56.76 170.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 74.299999999999997 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 35.1 t -61.3 145.64 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 75.340000000000003 110.856 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -54.33 -28.05 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 74.430000000000007 110.936 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.11 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 65.140000000000001 111.086 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -54.22 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 54.219999999999999 110.898 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -52.03 -38.82 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 74.420000000000002 110.812 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 72.3 t -70.18 -56.1 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 111.187 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -54.0 -32.92 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 64.109999999999999 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.79 -41.65 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.239999999999995 111.157 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.22 -47.08 11.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 111.09 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.39 -34.58 48.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 74.409999999999997 111.093 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -57.87 -31.61 66.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 73.120000000000005 110.895 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -83.87 60.97 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 74.329999999999998 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 74.150000000000006 110.878 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.76 0.314 . . . . 73.25 110.844 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.1 166.32 18.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.219999999999999 111.091 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -104.51 -67.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.834 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.2 mtp 62.75 38.16 12.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 74.299999999999997 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.5 m -120.58 110.15 16.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 71.510000000000005 111.135 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.06 -162.07 10.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 75.230000000000004 112.462 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.37 130.08 1.98 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 74.120000000000005 112.506 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -117.62 72.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 70.019999999999996 110.893 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -99.48 117.3 33.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.85 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -140.35 179.71 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 74.319999999999993 110.895 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.49 -151.59 5.5 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 73.150000000000006 112.484 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -62.47 129.25 39.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 73.439999999999998 110.893 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.24 160.46 42.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.584 0.707 . . . . 74.420000000000002 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -21.27 34.25 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.72 2.28 . . . . 64.019999999999996 112.354 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -52.51 -30.07 28.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 71.430000000000007 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -57.06 -28.9 62.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.400000000000006 110.915 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -72.72 -175.87 1.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 72.430000000000007 110.853 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -107.08 149.12 27.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 71.019999999999996 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -127.27 38.78 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 71.329999999999998 110.829 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -79.76 -24.1 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 70.340000000000003 110.888 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.26 16.48 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 110.831 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -52.81 167.97 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 53.409999999999997 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -109.78 165.8 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 70.549999999999997 110.894 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.9 m -98.77 -73.56 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 70.400000000000006 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.99 146.04 10.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 54.009999999999998 112.477 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 t -111.07 168.05 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 55.229999999999997 110.882 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.22 -157.25 29.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 74.299999999999997 112.515 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.12 -142.44 4.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 53.219999999999999 112.506 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 161.46 -34.67 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.695 -0.764 . . . . 60.25 112.441 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -65.91 -169.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 65.140000000000001 110.864 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.18 82.32 0.13 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 75.310000000000002 112.517 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.4 t -111.13 118.83 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 74.319999999999993 111.08 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -90.0 54.08 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 72.439999999999998 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.5 t -164.29 26.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 72.340000000000003 111.098 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.13 153.95 6.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 54.439999999999998 112.512 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.07 177.02 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 63.539999999999999 111.016 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -108.94 113.99 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.209999999999994 110.906 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.44 121.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.230000000000004 110.92 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.92 114.56 28.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.46 137.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 75.120000000000005 111.163 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.6 p -141.14 158.2 44.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 63.409999999999997 110.825 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.72 49.5 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.209999999999994 110.894 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.89 160.73 17.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 74.340000000000003 110.961 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -53.43 174.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 110.893 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.595 ' HE2' ' CE1' ' A' ' 84' ' ' PHE . 65.1 m-85 -92.39 8.59 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 75.200000000000003 110.918 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.97 -13.9 18.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.756 -0.735 . . . . 75.030000000000001 112.517 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -50.33 148.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 73.549999999999997 111.103 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.71 166.78 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.319999999999993 110.875 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -58.76 5.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.409999999999997 110.921 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.71 77.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.019999999999996 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.0 -61.37 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.7 pt -59.98 -30.58 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.040000000000006 111.126 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -61.13 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 60.340000000000003 110.926 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.61 -47.84 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.815 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 65.349999999999994 110.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -58.41 -29.68 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 74.340000000000003 110.881 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.96 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 70.099999999999994 111.076 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -54.42 -31.42 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.030000000000001 110.939 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.654 ' HE1' ' CE2' ' A' ' 98' ' ' PHE . 21.5 m-85 -67.15 -51.48 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.510000000000005 110.887 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.54 -100.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.716 . . . . 72.340000000000003 112.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.5 m -143.05 132.64 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 63.219999999999999 111.143 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.3 mt -108.47 158.21 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -110.19 -35.34 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.129999999999995 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 151.1 32.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.99 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 120' ' ' VAL . . . -155.7 128.59 8.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 111.109 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.18 157.2 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 65.439999999999998 111.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.52 152.69 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 71.109999999999999 111.13 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.31 120.52 40.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 73.310000000000002 110.819 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -112.78 157.48 21.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 72.310000000000002 110.904 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -98.66 -171.6 2.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 75.400000000000006 110.88 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -68.95 -27.1 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 110.903 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -72.84 -22.29 60.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 71.140000000000001 110.853 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.94 39.97 4.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 73.230000000000004 112.521 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -144.0 158.21 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 75.209999999999994 110.862 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 t -52.11 117.4 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 75.540000000000006 110.814 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.2 -25.6 59.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.439999999999998 110.958 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 131.91 -8.16 5.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 71.510000000000005 112.466 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.4 p -143.57 142.08 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 73.340000000000003 111.165 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -117.09 169.72 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 63.32 111.081 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -139.86 108.47 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 75.200000000000003 110.88 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -124.4 131.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 70.420000000000002 111.19 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.56 119.24 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 71.25 110.836 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.98 151.11 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 72.340000000000003 110.886 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.24 -19.03 51.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.239999999999995 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 145.07 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 75.349999999999994 110.865 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -70.12 -36.78 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 75.109999999999999 110.849 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.87 -64.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 111.092 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.94 -31.64 63.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 110.864 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.67 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 111.149 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.36 -48.37 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.450000000000003 110.924 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -62.88 -42.38 99.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.200000000000003 110.824 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.46 -61.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 74.099999999999994 111.092 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -32.53 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 75.099999999999994 110.876 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -80.56 -28.01 37.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.93 -10.18 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.140000000000001 110.836 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -108.88 -43.36 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.140000000000001 110.948 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -49.56 112.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 65.510000000000005 110.925 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 106.73 4.5 36.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 71.129999999999995 112.475 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.6 t -86.26 112.33 45.19 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.676 0.75 . . . . 73.439999999999998 111.088 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 129.55 17.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.686 2.257 . . . . 74.219999999999999 112.365 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.8 tp -124.5 97.98 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.519999999999996 110.898 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 52.41 33.72 13.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 74.239999999999995 110.854 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.02 19.82 29.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 74.010000000000005 112.49 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.15 97.94 6.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 75.400000000000006 110.93 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 74.230000000000004 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.29 144.04 56.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 74.329999999999998 110.835 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -133.82 111.33 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 74.120000000000005 110.841 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.73 137.42 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.430000000000007 111.084 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.49 115.78 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 73.109999999999999 110.85 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -75.57 114.42 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.099999999999994 110.93 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.5 t -107.4 139.28 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 111.141 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -113.32 93.64 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.409999999999997 111.115 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.3 t -140.51 120.39 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 70.5 110.871 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -160.4 148.9 16.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.530000000000001 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 65.0 mt -96.35 -40.11 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.349999999999994 111.112 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -132.29 124.07 28.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 73.030000000000001 110.887 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.2 pp -89.24 10.16 23.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 75.299999999999997 110.874 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -110.2 26.15 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 110.844 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -72.02 -37.02 69.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 72.030000000000001 110.909 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -88.66 78.03 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.299999999999997 110.902 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -52.07 -32.64 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.219999999999999 110.888 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.6 120.99 12.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 74.030000000000001 110.831 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -115.26 -32.59 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 75.030000000000001 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 24.2 p80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.239999999999995 110.855 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 CA-C-O 121.369 0.427 . . . . 65.140000000000001 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 176.06 7.29 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.732 2.288 . . . . 64.430000000000007 112.363 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tp -167.03 118.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.409999999999997 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.92 29.42 34.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.802 -0.713 . . . . 72.129999999999995 112.459 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -111.94 125.55 54.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 75.430000000000007 110.897 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 42.9 m -135.9 111.71 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.540000000000006 110.829 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 7.3 t -126.7 52.82 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 74.120000000000005 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -172.1 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.420000000000002 110.867 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.8 t -56.56 176.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 111.169 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 66.0 m -79.62 155.81 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 74.109999999999999 110.857 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -63.36 -22.08 66.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 75.200000000000003 110.962 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -81.94 -22.69 36.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 75.019999999999996 111.097 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.68 -57.16 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 74.040000000000006 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.46 -49.5 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.856 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.86 -36.45 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 111.14 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -58.35 -41.95 85.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.937 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.2 -41.94 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 75.109999999999999 110.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.8 73.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 71.530000000000001 111.113 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.8 -45.43 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 54.119999999999997 111.121 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.83 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.310000000000002 111.095 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -69.01 -25.96 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.439999999999998 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 -89.83 55.36 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.099999999999994 110.873 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.299999999999997 110.864 -179.877 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 mmm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.765 0.317 . . . . 71.5 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.31 143.24 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 71.099999999999994 111.045 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 99.6 p -158.76 173.89 15.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 75.319999999999993 110.863 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.35 165.6 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.439999999999998 110.892 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -163.34 161.96 24.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 73.519999999999996 111.069 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.43 143.16 6.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 70.219999999999999 112.492 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.28 121.9 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 73.209999999999994 112.474 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -162.37 104.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 75.430000000000007 110.917 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -91.11 78.36 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 75.400000000000006 110.903 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 59.9 mtm -75.83 105.03 6.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.349999999999994 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.47 122.16 0.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.808 -0.711 . . . . 73.299999999999997 112.565 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -103.77 113.57 27.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 75.409999999999997 110.92 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.27 161.06 50.18 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 75.140000000000001 110.842 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -7.97 22.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.646 2.231 . . . . 72.120000000000005 112.282 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -94.07 18.87 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 71.540000000000006 110.891 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.29 23.07 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.894 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -67.0 176.8 1.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 73.010000000000005 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -74.38 178.28 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 74.329999999999998 110.943 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -119.05 26.83 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 73.519999999999996 110.855 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -77.04 -24.99 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 71.519999999999996 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -87.5 10.9 16.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 110.916 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -98.3 171.65 8.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.439999999999998 110.933 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -91.06 163.67 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 62.119999999999997 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -53.83 -48.5 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 110.896 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.19 72.04 1.29 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.692 -0.766 . . . . 72.109999999999999 112.52 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.5 t 52.74 48.76 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 74.430000000000007 110.877 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -147.99 123.82 1.78 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 54.100000000000001 112.47 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.48 81.85 1.54 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 75.329999999999998 112.556 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.1 100.1 1.75 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 73.319999999999993 112.464 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.74 138.8 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 72.129999999999995 110.902 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.59 -88.42 1.93 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.796 -0.716 . . . . 73.519999999999996 112.451 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 t -138.59 149.58 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 74.420000000000002 111.143 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -102.03 31.48 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.25 110.886 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.1 t -147.01 42.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 111.138 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.59 138.15 2.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 65.549999999999997 112.519 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.58 169.35 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 72.129999999999995 111.106 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -110.06 113.26 25.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 73.400000000000006 110.921 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.87 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 74.409999999999997 110.945 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 tp -120.69 110.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 72.439999999999998 110.939 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.0 t -90.54 144.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.4 p -149.02 156.6 42.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.791 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 64.51 47.04 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 75.230000000000004 110.959 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.37 163.48 13.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.886 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -54.2 176.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 74.219999999999999 110.837 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -96.11 6.4 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.78 -1.06 36.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 75.120000000000005 112.495 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.7 t -53.89 147.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 74.540000000000006 111.14 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.36 158.9 44.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 62.219999999999999 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -57.47 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.519999999999996 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.61 78.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 74.140000000000001 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -56.81 17.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 75.329999999999998 110.894 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.2 pt -66.18 -29.83 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 111.133 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.66 -60.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.409999999999997 110.923 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.24 -47.1 87.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.129999999999995 110.922 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.6 -66.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 110.936 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -59.26 -29.64 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.340000000000003 110.83 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.78 71.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 61.32 111.159 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.82 -32.18 60.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 24.1 m-85 -67.17 -50.42 61.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.887 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.86 -103.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 74.430000000000007 112.486 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -130.81 146.93 52.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 75.409999999999997 111.18 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.2 mt -125.93 142.56 51.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 72.019999999999996 110.95 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.46 -28.42 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.87 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 16.9 tptp -163.39 155.45 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 72.030000000000001 110.937 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.81 115.65 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 62.020000000000003 111.134 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.57 157.57 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.439999999999998 111.049 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.7 p -131.62 145.61 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.430000000000007 111.141 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.54 132.26 34.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 110.872 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -120.12 145.73 46.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 110.97 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -86.77 179.93 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.230000000000004 110.896 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -63.84 -25.72 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 72.310000000000002 110.901 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 t -77.43 -22.45 51.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.76 45.41 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.658 -0.782 . . . . 34.210000000000001 112.456 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.84 158.41 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 75.420000000000002 110.914 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 m -52.21 113.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.140000000000001 110.882 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.4 -30.12 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 70.319999999999993 110.938 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.39 -15.6 3.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.679 -0.772 . . . . 72.230000000000004 112.43 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.4 p -139.88 141.4 36.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 72.040000000000006 111.139 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.51 167.9 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 74.150000000000006 111.146 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -132.39 123.98 27.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 64.349999999999994 110.875 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.3 t -133.03 127.5 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 74.219999999999999 111.134 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 13.8 m-70 -95.75 118.58 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 72.25 110.825 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -87.7 136.46 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 110.832 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.15 -15.6 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 74.150000000000006 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.05 145.12 35.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 75.530000000000001 110.856 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -31.85 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 75.120000000000005 110.879 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.19 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.450000000000003 111.024 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.21 -24.89 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 75.310000000000002 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.62 -50.27 46.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.030000000000001 111.076 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.24 -42.17 84.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 70.219999999999999 110.927 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -65.0 -44.8 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 75.049999999999997 110.899 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.98 -61.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 65.209999999999994 111.106 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -34.48 50.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 73.510000000000005 110.879 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.96 -27.8 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 73.510000000000005 110.943 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -10.77 45.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 70.340000000000003 110.947 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -107.52 -43.87 4.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 74.219999999999999 110.931 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -49.9 112.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.319999999999993 110.889 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.81 3.49 34.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 63.100000000000001 112.477 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.8 t -86.14 112.63 47.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.489 0.662 . . . . 73.430000000000007 111.13 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 129.68 18.03 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.65 2.234 . . . . 74.420000000000002 112.384 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.9 tp -124.06 97.69 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.019999999999996 110.887 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 51.72 34.29 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 71.430000000000007 110.902 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.88 19.7 30.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 73.439999999999998 112.512 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.19 96.17 7.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.681 0.753 . . . . 74.409999999999997 110.876 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.251 . . . . 73.219999999999999 112.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mtp -65.14 145.98 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 110.878 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -134.99 110.1 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 72.239999999999995 110.912 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -107.45 134.97 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 115.69 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.876 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.4 tt -76.67 126.78 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.914 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.0 t -114.55 126.04 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 111.157 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -95.7 88.96 5.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 73.030000000000001 111.11 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 27.3 t -139.47 89.38 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.873 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -162.94 160.81 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.049999999999997 110.946 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 28.2 mm -129.7 -43.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 111.088 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -173.68 144.54 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.879 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.4 mp -89.19 -8.05 54.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.319999999999993 110.855 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.9 26.67 3.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 65.219999999999999 110.863 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -84.74 60.53 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 110.844 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -158.42 111.43 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.82 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -55.64 123.84 15.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.400000000000006 110.863 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -141.78 162.16 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.530000000000001 110.847 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -83.6 151.23 25.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 110.837 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 69.5 t60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.866 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 121.404 0.447 . . . . 73.219999999999999 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 176.98 6.08 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.637 2.225 . . . . 63.530000000000001 112.322 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -124.46 160.01 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 70.230000000000004 110.908 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -105.87 -116.28 4.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.796 -0.716 . . . . 65.439999999999998 112.494 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 11.2 t -73.08 135.0 44.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 53.539999999999999 110.826 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -87.37 123.06 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.789 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 22.4 m -97.71 178.08 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 72.409999999999997 110.921 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -19.59 43.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 73.219999999999999 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.4 t -160.5 174.52 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 74.519999999999996 111.095 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 72.1 m -70.54 152.54 43.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 110.912 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 56.8 t90 -60.03 -25.08 65.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 110.905 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.26 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 72.040000000000006 111.103 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.96 -56.97 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.140000000000001 110.805 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -49.49 -49.58 45.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 73.140000000000001 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.77 -36.92 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 74.519999999999996 111.122 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -58.22 -41.61 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.030000000000001 110.834 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -76.49 -41.75 45.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.49 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.239999999999995 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.73 -46.06 16.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.219999999999999 111.164 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.96 -38.81 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 111.158 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -59.01 -34.82 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.881 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -84.34 62.1 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.882 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 75.019999999999996 110.85 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 75.010000000000005 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.97 168.3 18.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 52.130000000000003 111.163 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -108.24 -47.8 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 74.140000000000001 110.904 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.9 mmm -53.11 135.96 36.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 74.319999999999993 110.894 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.5 t -120.15 148.78 43.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.420000000000002 111.092 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.01 168.69 2.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 72.549999999999997 112.455 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.48 59.04 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.768 -0.73 . . . . 34.25 112.462 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -119.77 72.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.707 0.289 . . . . 64.230000000000004 110.927 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -121.1 159.93 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.299999999999997 110.858 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.17 167.21 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 72.209999999999994 110.903 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.42 -134.54 1.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.725 . . . . 63.439999999999998 112.499 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -81.09 174.09 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.296 . . . . 73.219999999999999 110.933 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.65 160.55 1.36 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.646 0.736 . . . . 72.239999999999995 110.805 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -16.75 38.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.71 2.273 . . . . 74.129999999999995 112.395 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -94.33 18.95 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 63.109999999999999 110.825 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -128.94 35.85 4.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.922 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -54.89 159.84 2.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.259 -0.428 . . . . 75.420000000000002 110.937 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -100.81 41.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.140000000000001 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -106.04 26.82 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.340000000000003 110.857 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -86.64 -23.88 25.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 61.450000000000003 110.866 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.34 16.18 10.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 110.926 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -53.9 168.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.409999999999997 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.9 t0 60.25 50.42 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 74.109999999999999 110.898 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 p -103.68 53.68 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 74.219999999999999 110.867 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' CYS . . . -102.19 85.62 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 61.109999999999999 112.537 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' GLY . 26.7 p 32.72 50.21 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 72.099999999999994 110.89 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 86.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.686 -0.768 . . . . 71.329999999999998 112.416 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.35 -78.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 75.349999999999994 112.468 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.42 75.06 0.12 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 72.540000000000006 112.436 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.11 126.68 36.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 74.329999999999998 110.807 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.03 61.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 72.230000000000004 112.508 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 t -119.65 106.41 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 74.200000000000003 111.175 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.18 50.18 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -160.77 25.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 111.115 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.57 155.76 6.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 50.329999999999998 112.416 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.56 169.89 18.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 71.200000000000003 111.091 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -110.33 114.05 27.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 71.140000000000001 110.852 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.51 140.6 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 110.934 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 tp -120.79 110.82 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.150000000000006 110.964 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -90.55 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 111.157 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m -145.75 154.99 42.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 70.329999999999998 110.812 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 t30 65.21 44.78 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 74.109999999999999 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.49 156.75 18.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 73.439999999999998 110.909 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.76 175.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 110.843 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.655 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 1.6 t80 -87.16 -26.99 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.030000000000001 110.894 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.76 65.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 53.439999999999998 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.4 p -51.24 145.6 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 74.200000000000003 111.137 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -149.98 167.09 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.219999999999999 110.833 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -60.06 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 74.230000000000004 110.916 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.99 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.510000000000005 111.07 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -58.98 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 55.350000000000001 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.9 pt -62.37 -29.0 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 64.340000000000003 111.179 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -60.68 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 71.340000000000003 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.35 -47.29 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.010000000000005 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -65.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 75.030000000000001 110.916 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -58.83 -27.95 65.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 110.932 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.65 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 73.409999999999997 111.129 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -53.53 -30.39 41.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 22.5 m-85 -69.02 -51.77 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 62.43 110.89 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.21 -109.39 0.27 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.728 -0.749 . . . . 72.120000000000005 112.49 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.2 m -132.05 132.4 43.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 73.519999999999996 111.092 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.6 mt -111.77 152.39 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.926 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -107.96 -32.4 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 72.109999999999999 110.9 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 6.1 tptt -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 110.885 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.99 120.77 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.209999999999994 111.12 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.75 45.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 70.299999999999997 111.028 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.59 140.7 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 111.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.0 135.16 36.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 64.549999999999997 110.806 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -125.66 148.25 49.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 73.430000000000007 110.941 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -80.58 173.28 12.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 64.430000000000007 110.883 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -56.77 -28.76 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 74.299999999999997 110.931 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -81.68 -22.29 37.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 73.349999999999994 110.928 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.15 47.29 1.6 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 74.200000000000003 112.444 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -137.16 147.18 45.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 72.340000000000003 110.882 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 m -51.88 109.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 74.109999999999999 110.904 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.2 mt -55.18 -26.71 40.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 74.219999999999999 110.893 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 -6.12 7.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 64.230000000000004 112.464 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.0 p -140.05 142.02 36.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 61.32 111.191 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -121.97 164.15 18.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 53.420000000000002 111.127 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -130.02 121.51 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 62.039999999999999 110.808 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.6 t -130.99 125.22 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.420000000000002 111.145 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 10.1 m-70 -94.94 113.98 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 75.340000000000003 110.856 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -82.6 149.1 27.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.92 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -78.01 -15.59 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 64.049999999999997 110.971 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 147.42 39.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 74.519999999999996 110.898 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -74.67 -35.19 62.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 73.25 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.65 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.140000000000001 111.173 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -53.45 -28.39 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.838 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.96 -44.03 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 70.310000000000002 111.086 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.4 -45.64 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.219999999999999 110.931 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -64.7 -45.54 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.935 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.96 -61.64 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 35.229999999999997 111.101 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.67 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 74.200000000000003 110.821 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -78.19 -27.34 47.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 75.439999999999998 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.84 -10.87 43.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 75.540000000000006 110.948 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -108.04 -44.15 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.915 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -49.99 112.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 75.010000000000005 110.894 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.28 3.63 35.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 63.310000000000002 112.518 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.3 t -86.31 112.48 46.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 73.439999999999998 111.03 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.19 20.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 74.519999999999996 112.386 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.4 tp -127.18 97.73 5.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.91 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.5 36.52 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 74.239999999999995 110.854 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.52 20.23 38.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.340000000000003 112.535 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 4.6 mmp_? -141.11 94.84 7.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 71.519999999999996 110.894 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 143' ' ' ARG . 53.8 Cg_endo -69.66 116.34 4.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.310000000000002 112.389 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.12 145.17 56.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 75.319999999999993 110.878 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -135.45 111.55 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.409999999999997 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.83 142.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 75.150000000000006 111.138 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.85 118.46 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 74.310000000000002 110.944 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -79.98 116.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 75.109999999999999 110.932 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.79 126.57 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 72.519999999999996 111.109 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -96.97 96.19 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.209999999999994 111.116 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 19.2 m -117.37 163.37 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 70.340000000000003 110.825 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -112.86 133.72 54.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 63.219999999999999 110.902 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.1 mm -108.01 -24.94 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.530000000000001 111.121 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -126.44 63.13 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.87 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.1 pp -86.54 -26.37 24.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 110.929 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.26 -31.96 34.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 110.84 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -131.74 97.77 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 110.849 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -88.86 140.7 29.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 73.340000000000003 110.865 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -105.92 98.69 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 71.239999999999995 110.829 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -112.4 58.18 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 73.010000000000005 110.853 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 59.98 45.76 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 74.030000000000001 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 53.0 t60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.129999999999995 110.866 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 121.449 0.472 . . . . 73.439999999999998 112.527 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -173.17 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.626 2.217 . . . . 73.319999999999993 112.326 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.57 -60.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.519999999999996 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.01 -103.53 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 75.340000000000003 112.47 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.3 t 59.31 50.24 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 74.530000000000001 110.872 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 76.1 p -126.26 37.53 4.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 110.849 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 26.7 m -123.0 -173.6 2.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 65.109999999999999 110.853 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -19.14 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 71.209999999999994 110.894 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.5 t -161.53 175.58 11.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 75.140000000000001 111.228 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 43.3 t -69.98 165.42 21.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 75.430000000000007 110.921 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -68.8 -25.89 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.879 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.35 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 71.310000000000002 111.077 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.39 -54.66 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.510000000000005 110.818 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -51.39 -39.1 56.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.310000000000002 110.904 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 62.3 t -69.67 -46.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 111.112 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -58.17 -34.81 70.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 74.040000000000006 110.964 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -76.4 -47.27 23.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.936 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 71.099999999999994 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.63 -45.05 19.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 51.240000000000002 111.123 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.58 -49.25 62.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 111.092 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -61.3 -28.31 69.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 71.420000000000002 110.9 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -79.0 61.17 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 75.140000000000001 110.885 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.881 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.796 0.332 . . . . 75.319999999999993 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.41 -74.66 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 74.430000000000007 111.057 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.0 m 63.16 38.37 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 72.109999999999999 110.869 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.98 148.56 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.200000000000003 110.906 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 p -154.99 178.64 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 111.135 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.59 -179.11 35.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 74.010000000000005 112.522 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.97 -169.89 33.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.68 -0.771 . . . . 63.100000000000001 112.466 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -167.52 123.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 74.319999999999993 110.917 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -148.38 -179.46 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.109999999999999 110.928 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.03 161.67 33.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 71.230000000000004 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.6 130.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.664 -0.779 . . . . 72.140000000000001 112.45 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -99.92 134.07 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 74.340000000000003 110.905 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.41 160.5 42.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 63.219999999999999 110.838 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.7 24.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 75.150000000000006 112.412 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -94.13 18.94 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 71.510000000000005 110.873 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -120.06 40.35 3.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -65.94 -179.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.109999999999999 110.926 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -109.41 26.42 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 74.239999999999995 110.888 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -134.24 25.25 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 75.409999999999997 110.895 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.99 -8.92 50.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 71.129999999999995 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mt -85.7 8.63 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.943 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 1.589 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 82.9 m-85 -112.09 143.08 43.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.400000000000006 110.862 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -139.27 25.28 2.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 74.319999999999993 110.879 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t 51.68 38.18 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 72.530000000000001 110.89 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.26 -83.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.794 -0.717 . . . . 60.329999999999998 112.515 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.0 t 63.29 61.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 74.209999999999994 110.898 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.93 148.39 4.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.76 . . . . 64.329999999999998 112.449 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.18 150.55 7.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 74.030000000000001 112.449 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.77 -94.92 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 72.430000000000007 112.484 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -53.62 127.1 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 74.5 110.898 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.9 102.17 2.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 71.329999999999998 112.511 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 t -139.84 156.8 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 70.019999999999996 111.129 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' THR . 13.8 mp0 -89.86 16.66 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.129999999999995 110.893 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' GLU . 3.4 t 36.48 59.29 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 73.319999999999993 111.211 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.71 162.55 11.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 72.510000000000005 112.489 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.63 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 72.549999999999997 111.054 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -111.47 113.61 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 65.129999999999995 110.912 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.99 122.05 39.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 73.120000000000005 110.923 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.92 116.72 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.867 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.7 t -95.63 137.15 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 65.219999999999999 111.159 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.7 p -140.9 155.93 46.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 65.209999999999994 110.837 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t30 64.12 49.44 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 72.319999999999993 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.38 159.56 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.933 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -52.03 171.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.855 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -90.36 7.33 39.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.409999999999997 110.941 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.63 -14.27 22.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.655 -0.783 . . . . 71.319999999999993 112.502 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.3 p -49.72 147.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 74.150000000000006 111.153 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -149.67 164.62 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 74.400000000000006 110.824 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -59.23 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 61.210000000000001 110.873 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.96 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.519999999999996 111.074 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.129999999999995 110.857 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.7 pt -61.43 -32.31 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.040000000000006 111.088 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -60.99 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.519999999999996 110.867 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.66 -47.82 83.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 73.540000000000006 110.832 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.68 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.120000000000005 110.924 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -59.4 -28.07 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 64.129999999999995 110.9 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.13 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.010000000000005 111.193 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -30.55 43.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.928 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 20.8 m-85 -67.34 -52.4 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.219999999999999 110.838 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.48 -108.86 0.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.834 -0.698 . . . . 65.209999999999994 112.519 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -133.21 124.4 27.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 54.119999999999997 111.115 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.6 mt -99.89 158.29 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.949 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -113.01 -36.23 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.858 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 143.5 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.932 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.71 121.39 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 70.099999999999994 111.112 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.14 44.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 74.549999999999997 111.123 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -125.26 151.61 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.209999999999994 111.119 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.25 124.07 35.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 110.858 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.03 147.55 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 74.129999999999995 110.953 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.05 -174.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 70.450000000000003 110.835 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -70.5 -19.21 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 110.852 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.9 m -91.1 -22.57 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.129999999999995 110.926 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 104.1 48.75 1.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.69 -0.766 . . . . 65.310000000000002 112.485 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ptt-85 -138.66 151.11 46.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 74.239999999999995 110.893 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 m -50.79 122.91 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 62.329999999999998 110.893 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.0 mt -72.09 -19.98 61.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.935 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.2 -13.52 8.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 71.239999999999995 112.553 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.5 p -139.68 141.82 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 53.350000000000001 111.072 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -115.46 169.25 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 111.147 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.08 107.91 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.420000000000002 110.826 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.34 127.1 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 54.549999999999997 111.146 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -95.54 122.87 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.430000000000007 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -81.61 149.7 28.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.439999999999998 110.908 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -75.62 -18.51 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.109999999999999 110.919 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.22 144.05 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 75.409999999999997 110.846 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -33.51 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.200000000000003 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.19 -64.22 0.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 74.030000000000001 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.49 -26.2 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 70.430000000000007 110.837 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.88 -49.11 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 73.540000000000006 111.08 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.47 -42.06 83.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 71.340000000000003 110.924 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -65.78 -47.33 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 73.129999999999995 110.882 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.92 -61.1 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 111.082 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 74.510000000000005 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -77.42 -26.85 52.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 75.209999999999994 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.34 -12.71 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 72.510000000000005 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -105.92 -44.02 4.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 75.340000000000003 110.902 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -50.0 111.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 73.109999999999999 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.44 7.31 32.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 64.129999999999995 112.521 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.9 t -89.69 110.95 43.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 73.030000000000001 111.121 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.635 2.223 . . . . 72.200000000000003 112.337 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.9 tp -127.01 98.12 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.319999999999993 110.948 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.45 35.1 19.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 65.420000000000002 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.31 21.55 34.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 75.329999999999998 112.476 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.14 92.54 8.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.516 0.674 . . . . 73.219999999999999 110.793 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.91 4.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 64.209999999999994 112.345 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.9 mtp -66.32 145.23 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.019999999999996 110.927 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -133.96 109.16 8.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 71.230000000000004 110.924 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.03 135.2 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 75.5 111.133 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.85 115.6 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 72.239999999999995 110.966 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 9.1 tt -72.41 126.89 30.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 73.439999999999998 110.892 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 94.8 t -115.38 124.11 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 111.12 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -98.06 100.36 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 70.519999999999996 111.022 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.0 t -138.72 77.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 75.310000000000002 110.861 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -131.14 146.38 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 72.519999999999996 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 79.1 mt -110.6 -31.82 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.439999999999998 111.137 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 34.9 t70 58.08 49.42 11.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.9 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.01 -25.55 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.510000000000005 110.886 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -63.51 -27.38 69.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 72.120000000000005 110.977 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -121.61 87.11 2.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 75.030000000000001 110.853 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -60.21 161.18 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.040000000000006 110.844 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -102.36 59.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.109999999999999 110.868 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -158.6 135.21 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.805 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -64.14 143.53 57.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 75.299999999999997 110.832 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 110.919 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 121.437 0.465 . . . . 70.450000000000003 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 90.03 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.641 2.227 . . . . 72.209999999999994 112.381 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 35.3 mt -52.23 -30.46 27.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 72.400000000000006 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.47 93.02 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 73.439999999999998 112.404 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.9 t -86.57 81.33 8.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 73.209999999999994 110.914 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 11.3 m -62.15 107.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 63.310000000000002 110.858 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 81.5 m -145.54 162.87 36.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 62.43 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -17.57 58.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.879 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.9 t -170.25 169.5 7.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.281 -0.418 . . . . 73.319999999999993 111.166 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -68.24 148.14 51.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 110.85 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -55.04 -30.8 60.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 74.239999999999995 110.929 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.58 -23.02 66.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 63.520000000000003 111.123 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.36 -48.55 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 64.510000000000005 110.845 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -51.85 -49.71 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.230000000000004 110.927 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 13.8 t -65.11 -50.25 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 111.173 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -51.65 -42.64 62.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 73.329999999999998 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.65 -51.3 28.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 74.540000000000006 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.62 -39.46 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.329999999999998 111.138 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.21 -30.86 27.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 54.100000000000001 111.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.89 -46.87 82.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 74.450000000000003 111.14 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -57.3 -28.52 63.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 73.349999999999994 110.878 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.35 26.2 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 72.099999999999994 110.902 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.439999999999998 110.823 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.6 mmt . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.788 0.328 . . . . 74.340000000000003 110.938 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.96 148.69 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 72.510000000000005 111.061 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 t -169.21 162.79 10.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 71.340000000000003 110.896 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -129.22 151.98 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.549999999999997 110.897 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -159.07 145.81 17.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 111.211 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.65 153.46 7.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.803 -0.713 . . . . 73.5 112.525 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.45 105.59 1.76 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 65.329999999999998 112.511 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -98.81 81.24 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 75.030000000000001 110.899 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -92.05 156.33 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 63.149999999999999 110.881 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.9 mmt -106.6 168.18 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 72.140000000000001 110.92 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.42 141.6 3.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.814 -0.708 . . . . 65.040000000000006 112.543 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -110.02 125.27 52.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 72.120000000000005 110.872 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.51 158.53 1.45 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.52 0.676 . . . . 74.439999999999998 110.91 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -18.1 36.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.665 2.243 . . . . 55.299999999999997 112.324 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.81 -25.84 60.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 64.030000000000001 110.904 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -52.16 -30.6 27.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 73.340000000000003 110.953 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -58.37 177.2 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 74.25 110.922 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -141.98 160.5 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 71.439999999999998 110.857 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -124.4 36.99 4.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 63.020000000000003 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.19 -24.94 27.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.226 -0.443 . . . . 74.150000000000006 110.888 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.55 16.04 9.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.852 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -64.91 159.47 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.019999999999996 110.875 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -138.3 172.08 13.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 63.32 110.854 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 t -172.12 90.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 65.430000000000007 110.863 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -148.67 121.94 1.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 73.439999999999998 112.486 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.6 p -170.77 175.49 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 74.099999999999994 110.866 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.53 164.11 14.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 74.329999999999998 112.488 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.51 -152.36 7.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.793 -0.717 . . . . 71.430000000000007 112.502 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.52 34.32 2.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 73.030000000000001 112.478 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -154.22 118.62 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.39 . . . . 74.439999999999998 110.88 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -119.06 -102.22 2.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.664 -0.779 . . . . 74.150000000000006 112.422 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 t -138.67 140.24 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 71.530000000000001 111.072 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.42 -16.27 60.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 70.510000000000005 110.936 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.6 t -115.81 59.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 71.450000000000003 111.188 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.88 142.2 3.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.815 -0.707 . . . . 61.25 112.473 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.37 171.66 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 73.409999999999997 111.124 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -111.77 113.6 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.239999999999995 110.912 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.23 138.74 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.859 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.8 112.71 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.400000000000006 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.6 t -91.41 142.37 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 74.540000000000006 111.058 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.2 p -146.0 156.72 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 73.549999999999997 110.866 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t30 64.11 46.41 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 72.120000000000005 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.12 159.77 16.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 110.92 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.23 177.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 75.099999999999994 110.883 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.655 ' HD1' ' CD2' ' A' ' 84' ' ' PHE . 52.5 p90 -92.71 -10.87 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 73.430000000000007 110.845 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.1 -16.51 67.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 70.200000000000003 112.493 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.5 p -50.36 145.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 72.25 111.11 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -149.57 166.17 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 62.32 110.778 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -60.6 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.209999999999994 110.833 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.75 75.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 61.210000000000001 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.57 -60.77 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.409999999999997 110.857 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.9 pt -61.25 -29.05 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 75.239999999999995 111.135 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -60.89 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 72.200000000000003 110.937 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -61.42 -46.96 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 54.520000000000003 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.893 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -59.13 -28.02 66.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 73.400000000000006 110.849 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.35 71.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.439999999999998 111.074 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -53.21 -30.96 40.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.299999999999997 110.854 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.644 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 29.6 m-85 -69.44 -48.67 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 62.340000000000003 110.879 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.66 -118.72 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 74.420000000000002 112.488 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -127.8 115.4 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 74.150000000000006 111.154 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 78.6 mt -89.39 157.49 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 64.030000000000001 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.65 -34.05 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 75.129999999999995 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -153.31 147.63 25.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 72.230000000000004 110.844 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.87 124.0 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.540000000000006 111.081 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.49 151.99 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.329999999999998 111.079 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.64 152.18 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.349999999999994 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.21 127.61 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.140000000000001 110.808 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -117.12 150.51 38.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 73.540000000000006 110.931 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -93.86 -173.04 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 74.430000000000007 110.884 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -64.92 -29.91 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.230000000000004 110.834 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.4 m -72.85 -22.38 60.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.310000000000002 110.865 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.47 40.03 4.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.787 -0.72 . . . . 64.140000000000001 112.452 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.39 159.43 42.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 75.120000000000005 110.882 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -52.66 114.7 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 74.530000000000001 110.926 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -55.69 -27.63 51.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 71.420000000000002 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.73 -15.96 4.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 72.510000000000005 112.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.2 p -137.12 141.85 42.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 73.430000000000007 111.124 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.26 164.4 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 64.530000000000001 111.096 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -128.77 122.3 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 60.439999999999998 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.4 t -131.5 123.49 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 111.14 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 11.3 m-70 -94.91 114.56 26.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.140000000000001 110.787 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -82.17 150.05 27.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.827 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.53 -12.58 56.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 75.329999999999998 110.881 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.11 145.15 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.530000000000001 110.868 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -74.96 -43.78 52.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 72.450000000000003 110.894 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.39 -62.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 111.087 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -29.46 70.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 44.229999999999997 110.837 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.56 -51.72 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.25 111.109 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.59 -39.85 80.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 73.409999999999997 110.914 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.49 -47.06 77.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 75.040000000000006 110.877 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.45 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.519999999999996 111.121 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -34.74 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 71.109999999999999 110.878 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -78.02 -27.48 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 110.86 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -88.96 -11.0 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.230000000000004 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -107.63 -43.87 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 74.239999999999995 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.85 112.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 75.310000000000002 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.11 0.92 29.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 72.420000000000002 112.521 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 70.7 t -84.02 112.84 43.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 65.409999999999997 111.151 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 131.87 22.04 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 75.420000000000002 112.372 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 tp -128.72 97.86 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.319999999999993 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 51.85 36.92 19.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.450000000000003 110.848 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.63 20.17 41.64 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 75.230000000000004 112.517 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -141.02 94.34 7.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 74.219999999999999 110.939 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.07 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.801 2.334 . . . . 73.329999999999998 112.357 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.2 mtp -63.07 144.51 56.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 72.209999999999994 110.884 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.25 109.03 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.420000000000002 110.966 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.8 135.28 44.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 75.140000000000001 111.127 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.56 115.49 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.329999999999998 110.999 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.3 tp -76.41 126.83 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 74.25 110.888 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 81.8 t -117.35 136.24 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 72.439999999999998 111.107 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.13 86.69 7.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.340000000000003 111.049 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 19.0 t -176.7 153.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.400000000000006 110.863 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -161.56 173.06 15.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 74.129999999999995 110.911 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 38.3 mm -88.51 -25.58 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.310000000000002 111.15 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -118.28 90.04 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.879 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.2 pp -89.25 10.02 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 72.230000000000004 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.96 29.3 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.530000000000001 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -61.87 150.42 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -140.34 129.58 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 110.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -136.27 153.41 51.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.807 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -126.19 174.92 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 74.120000000000005 110.845 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -149.22 167.87 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.349999999999994 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.8 p80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 75.329999999999998 110.817 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 121.474 0.486 . . . . 72.219999999999999 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.93 40.19 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.646 2.231 . . . . 73.109999999999999 112.356 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.95 109.2 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.230000000000004 110.877 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 176.04 -31.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 64.030000000000001 112.496 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 68.0 m -99.51 -29.39 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 74.319999999999993 110.851 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 24.8 p -170.3 154.35 4.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 75.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 23.3 t -84.5 -35.11 23.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.867 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.34 -171.18 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 71.219999999999999 110.875 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.0 t -56.59 176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 43.350000000000001 111.13 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -70.6 149.04 47.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.120000000000005 110.928 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -56.19 -28.99 60.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 75.209999999999994 110.918 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.42 -28.97 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 111.037 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.98 -57.03 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.439999999999998 110.876 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -51.54 -41.48 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 75.299999999999997 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.45 -50.55 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.129999999999995 111.093 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.7 -38.24 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.540000000000006 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.66 -43.1 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.13 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.239999999999995 111.038 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.99 -41.31 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 63.140000000000001 111.094 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.37 -10.78 60.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 64.349999999999994 111.056 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -94.48 20.07 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 74.209999999999994 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -105.9 16.62 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.310000000000002 110.815 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.882 -179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.873 0.368 . . . . 74.030000000000001 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.59 127.05 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.349999999999994 111.1 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.5 p -160.92 123.66 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 73.319999999999993 110.89 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.5 tpp -169.48 132.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.129999999999995 110.897 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -118.83 146.53 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 72.420000000000002 111.194 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.59 142.6 7.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 72.129999999999995 112.448 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.15 110.16 1.13 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 74.239999999999995 112.522 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -164.82 109.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.704 0.288 . . . . 74.540000000000006 110.898 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -94.92 128.87 42.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.239999999999995 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -141.97 155.85 45.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 71.150000000000006 110.828 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.56 140.35 3.04 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.692 -0.766 . . . . 62.229999999999997 112.504 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -139.96 123.3 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 74.219999999999999 110.879 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.14 160.6 77.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.532 0.682 . . . . 71.450000000000003 110.886 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -16.34 37.27 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.64 2.227 . . . . 72.150000000000006 112.353 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.34 -29.87 25.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 72.430000000000007 110.784 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -52.01 -30.13 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 75.129999999999995 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -68.95 140.42 55.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.959 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -130.85 172.09 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 64.510000000000005 110.87 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -104.9 32.51 4.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 75.019999999999996 110.877 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -82.72 -25.93 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 74.209999999999994 110.854 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.86 9.52 18.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 74.510000000000005 110.96 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -77.79 156.98 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 75.299999999999997 110.855 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -146.74 169.04 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.510000000000005 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 t -177.59 97.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 72.439999999999998 110.827 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.74 116.96 0.77 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 64.310000000000002 112.566 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.7 t -118.62 144.16 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 73.219999999999999 110.875 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.11 173.15 24.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 73.310000000000002 112.477 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.48 178.66 48.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 55.420000000000002 112.472 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.09 54.95 5.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 63.340000000000003 112.458 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -126.35 139.91 52.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 74.310000000000002 110.919 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.85 -76.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 74.120000000000005 112.442 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.37 134.81 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 73.25 111.133 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.77 38.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 72.019999999999996 110.893 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -148.34 36.16 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.506 . . . . 74.340000000000003 111.133 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.04 141.25 3.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 33.420000000000002 112.491 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.84 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 75.549999999999997 111.088 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -99.26 112.59 24.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.109999999999999 110.954 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mp -92.37 133.66 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 110.936 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -109.86 117.98 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.310000000000002 110.975 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.24 143.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 70.120000000000005 111.177 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.2 p -146.44 156.93 43.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 65.219999999999999 110.873 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.05 48.1 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.349999999999994 110.883 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.85 162.74 13.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 72.209999999999994 110.94 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.26 176.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 72.200000000000003 110.841 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -95.98 7.31 46.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 65.310000000000002 110.924 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.23 -4.29 38.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 61.450000000000003 112.481 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.2 t -51.6 147.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 73.420000000000002 111.119 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.64 160.3 43.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.886 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.12 -56.58 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.65 77.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 111.102 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -55.06 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 110.85 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.9 pt -66.73 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 72.120000000000005 111.166 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 -60.68 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.81 -47.7 85.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 110.847 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.47 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.209999999999994 110.927 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -58.1 -29.17 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.239999999999995 110.846 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.209999999999994 111.066 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.49 -30.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 74.140000000000001 110.864 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.647 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 27.8 m-85 -70.73 -50.77 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.219999999999999 110.815 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.17 -114.44 0.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 62.340000000000003 112.5 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.3 m -126.36 130.1 50.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 74.129999999999995 111.094 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.5 mt -106.16 153.76 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.519999999999996 110.881 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.37 -26.01 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 110.86 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 161.42 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 73.329999999999998 110.963 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.31 132.19 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 73.310000000000002 111.051 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.94 155.21 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 111.125 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.2 p -132.65 147.51 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 71.420000000000002 111.117 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.54 126.45 36.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 75.420000000000002 110.913 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.45 144.75 43.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.420000000000002 110.926 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -89.42 -178.19 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 71.030000000000001 110.871 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.76 68.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 71.409999999999997 110.866 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -74.2 -22.36 59.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.340000000000003 110.828 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.78 28.62 8.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 61.32 112.488 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -132.29 158.91 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 74.219999999999999 110.854 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -52.63 118.38 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 74.140000000000001 110.82 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -30.66 54.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 74.299999999999997 110.96 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.02 -15.52 3.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 73.150000000000006 112.574 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.0 p -142.1 141.42 32.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 74.150000000000006 111.135 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.83 169.61 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 73.340000000000003 111.099 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -133.96 122.85 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.340000000000003 110.847 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.79 140.95 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.409999999999997 111.08 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -102.96 113.57 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 65.140000000000001 110.799 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -89.39 137.13 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.530000000000001 110.906 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -73.34 -15.68 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 64.319999999999993 110.863 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 142.72 33.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 110.827 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -32.62 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.913 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.71 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.329999999999998 111.121 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.53 -34.45 50.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.319999999999993 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.2 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.109999999999999 111.067 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.63 -49.24 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.530000000000001 110.954 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.81 -38.23 79.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 73.109999999999999 110.879 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.85 -56.01 14.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 72.040000000000006 111.087 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -34.05 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.894 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -76.12 -28.55 57.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 73.409999999999997 110.891 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -16.89 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.310000000000002 110.976 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -99.16 -43.64 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 110.878 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.74 112.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 73.239999999999995 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 1.18 31.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 61.009999999999998 112.528 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.5 t -83.94 112.67 42.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 74.319999999999993 111.087 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.95 20.22 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 74.109999999999999 112.278 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -127.36 97.85 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.87 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.06 35.29 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 110.896 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 92.01 20.09 37.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.812 -0.708 . . . . 60.409999999999997 112.502 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.16 95.56 7.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.652 0.739 . . . . 75.400000000000006 110.875 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.08 4.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 75.409999999999997 112.36 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.9 mtp -63.96 146.92 53.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.150000000000006 110.903 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -135.92 110.38 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.85 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -109.32 139.73 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 72.209999999999994 111.117 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.43 115.69 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.25 136.45 53.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 72.109999999999999 110.902 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 20.4 t -121.62 123.48 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 75.019999999999996 111.146 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -94.15 86.04 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 62.420000000000002 111.159 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.1 m -151.91 139.57 19.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 73.329999999999998 110.936 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -125.79 177.75 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 63.420000000000002 110.942 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 34.9 mm -121.11 -33.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 75.530000000000001 111.139 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -64.33 94.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 75.420000000000002 110.82 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 pp -89.25 10.11 23.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 73.030000000000001 110.91 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -96.78 26.77 4.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 110.883 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -66.89 165.49 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.450000000000003 110.829 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 53.3 t60 60.89 45.94 9.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.466 . . . . 73.310000000000002 110.865 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -87.18 175.0 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.040000000000006 110.835 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -123.92 151.75 43.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.519999999999996 110.842 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -164.81 140.72 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 110.882 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.841 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 CA-C-O 121.387 0.437 . . . . 75.5 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 134.82 28.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.7 2.267 . . . . 71.140000000000001 112.325 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 23.0 tp -107.38 -45.03 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 75.019999999999996 110.952 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.98 -65.34 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.757 . . . . 51.439999999999998 112.473 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.14 40.89 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 73.150000000000006 110.833 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.3 m -106.5 26.95 9.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 75.439999999999998 110.841 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 53.9 m -147.54 160.06 43.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 75.109999999999999 110.858 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -75.94 -19.6 58.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 73.530000000000001 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.6 t -162.32 175.68 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 72.319999999999993 111.181 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 72.6 m -72.78 159.46 33.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 75.030000000000001 110.853 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -65.55 -24.2 67.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.477 . . . . 73.239999999999995 110.957 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.61 -22.76 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 65.040000000000006 111.132 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -56.62 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 110.863 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -49.64 -49.53 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 64.129999999999995 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 p -68.1 -36.2 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -59.11 -40.75 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 110.835 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.43 -41.56 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.19 -39.93 76.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 54.409999999999997 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.64 -45.63 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.129999999999995 111.12 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.54 -54.91 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 111.045 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -60.4 -26.24 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.450000000000003 110.869 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -87.89 64.6 7.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.409999999999997 110.834 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.883 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.755 0.312 . . . . 73.239999999999995 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 93.66 9.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 71.349999999999994 111.026 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -131.05 126.35 35.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 110.847 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.3 tpt -165.43 116.36 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 75.230000000000004 110.827 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.63 143.74 26.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 71.010000000000005 111.146 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.21 110.99 0.29 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.74 -0.743 . . . . 72.019999999999996 112.502 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.4 -114.9 1.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 72.349999999999994 112.554 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -118.98 53.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 73.219999999999999 110.956 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -59.75 165.59 3.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 73.230000000000004 110.95 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 ttp 57.31 33.56 23.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 65.209999999999994 110.915 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.11 146.14 10.71 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.742 -0.742 . . . . 71.209999999999994 112.465 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 120.91 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 71.239999999999995 110.898 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.21 160.42 40.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.553 0.692 . . . . 64.010000000000005 110.886 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -14.89 36.81 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.711 2.274 . . . . 73.420000000000002 112.343 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -55.87 -25.47 42.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.349999999999994 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -93.89 40.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -97.67 163.99 12.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.540000000000006 110.907 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -125.51 75.84 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -113.07 71.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.835 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.909 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.26 -18.58 48.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 74.010000000000005 110.944 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 1.654 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 33.1 p90 -133.43 175.08 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 75.140000000000001 110.923 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -141.66 132.4 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.319999999999993 110.838 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 p 52.09 31.56 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 60.049999999999997 110.835 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.81 -84.52 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.714 -0.755 . . . . 72.409999999999997 112.444 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.8 t -68.33 159.11 32.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 54.420000000000002 110.876 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.11 111.86 1.2 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 74.129999999999995 112.514 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.98 110.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 63.030000000000001 112.449 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.2 -60.87 0.4 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 74.030000000000001 112.489 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -109.78 118.44 36.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.378 . . . . 74.019999999999996 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.38 99.49 2.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 64.109999999999999 112.51 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -127.74 157.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 72.409999999999997 111.114 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.66 6.0 22.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 73.439999999999998 110.948 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 t -134.95 62.26 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 111.125 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 131.38 137.44 4.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 42.100000000000001 112.519 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.65 163.47 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 75.310000000000002 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -97.76 114.14 26.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 72.239999999999995 110.831 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.18 128.87 48.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.918 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.23 129.0 56.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.871 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 t -104.14 143.17 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 72.299999999999997 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.3 p -142.28 157.21 45.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 43.520000000000003 110.854 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t30 65.22 48.07 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 73.219999999999999 110.923 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.62 157.5 19.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.530000000000001 110.909 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -55.56 177.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.866 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.655 ' HD2' ' CD1' ' A' ' 84' ' ' PHE . 43.3 p90 -93.1 -3.35 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 75.329999999999998 110.832 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.46 -17.72 48.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.748 -0.739 . . . . 74.400000000000006 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.32 145.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 75.140000000000001 111.134 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -146.38 166.01 27.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 72.340000000000003 110.859 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -59.39 3.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.140000000000001 110.86 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.87 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 73.129999999999995 111.11 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -59.36 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 73.510000000000005 110.884 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.8 pt -62.68 -29.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.430000000000007 111.118 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -60.96 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.510000000000005 110.869 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.84 -46.92 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.450000000000003 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.96 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 73.340000000000003 110.913 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -58.55 -29.29 66.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.839 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 72.310000000000002 111.107 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.9 -30.21 45.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 73.030000000000001 110.842 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 22.6 m-85 -69.17 -51.1 41.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.907 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.79 -101.68 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 74.540000000000006 112.502 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -135.98 143.09 44.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 74.510000000000005 111.136 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.9 mt -122.22 145.85 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.019999999999996 110.88 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -25.8 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 72.010000000000005 110.934 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -167.71 155.63 8.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 74.329999999999998 110.905 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.25 121.64 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 44.039999999999999 111.127 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.21 157.37 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 75.340000000000003 111.167 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.32 152.33 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 75.129999999999995 111.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.15 122.78 37.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.845 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.94 152.57 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 73.310000000000002 110.907 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -100.02 -176.28 3.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 110.876 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -60.9 -31.33 70.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 63.450000000000003 110.879 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.97 -22.39 62.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 75.439999999999998 110.834 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.15 21.16 23.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.805 -0.712 . . . . 74.439999999999998 112.414 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -121.21 155.41 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.32 . . . . 62.130000000000003 110.875 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.5 t -52.08 127.3 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 73.219999999999999 110.922 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.38 -25.77 68.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 110.886 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.46 -14.13 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 73.519999999999996 112.474 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.7 p -139.25 141.77 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 75.430000000000007 111.142 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -118.24 165.72 13.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 70.239999999999995 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.83 123.72 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 63.32 110.828 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -131.96 126.74 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 72.109999999999999 111.124 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -95.66 114.92 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 64.040000000000006 110.853 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.86 148.0 26.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.896 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -83.74 -18.19 38.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.88 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 137.75 38.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.349999999999994 110.842 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -38.1 77.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 72.25 110.886 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 111.177 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.37 -33.02 63.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 71.230000000000004 110.836 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.68 -45.42 75.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.030000000000001 111.111 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -48.21 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 110.904 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -63.41 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.319999999999993 110.885 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.45 -62.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 61.130000000000003 111.091 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -31.24 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 73.530000000000001 110.832 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -80.08 -28.5 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -10.87 44.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 75.120000000000005 110.906 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -107.01 -42.91 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.310000000000002 110.873 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -50.8 112.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.409999999999997 110.919 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.57 1.73 32.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 74.219999999999999 112.52 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 61.3 t -84.51 112.8 44.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 74.219999999999999 111.121 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.42 21.2 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 73.409999999999997 112.356 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.2 tp -127.54 97.74 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 110.943 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.62 36.36 17.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 75.099999999999994 110.916 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.79 39.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 72.510000000000005 112.469 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 95.41 7.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 74.430000000000007 110.888 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 63.420000000000002 112.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.1 mtp -64.77 145.27 56.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.879 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -135.73 107.85 7.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 73.230000000000004 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.95 141.71 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 111.099 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 131.49 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.933 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 19.0 tp -88.16 123.84 33.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 71.549999999999997 110.845 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.65 121.15 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 111.157 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.98 96.99 10.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 111.09 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.6 t -161.14 157.38 25.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 54.32 110.849 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -161.27 170.48 20.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.903 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.44 -42.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.209999999999994 111.176 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.9 67.38 5.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 75.120000000000005 110.854 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.68 -24.98 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 75.129999999999995 110.923 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -68.75 -25.65 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 73.349999999999994 110.865 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 14.7 m170 62.72 52.48 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.209999999999994 110.883 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -133.78 49.49 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.409999999999997 110.856 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -52.08 152.5 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.219999999999999 110.842 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -78.89 -26.2 43.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 110.917 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -104.73 48.83 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.919 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 22.2 p80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.846 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 121.35 0.417 . . . . 60.119999999999997 112.559 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.81 68.49 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.642 2.228 . . . . 64.209999999999994 112.389 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.34 91.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 74.109999999999999 110.964 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 52.18 -136.21 35.01 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 72.420000000000002 112.492 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 32.1 t -93.77 42.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 63.130000000000003 110.901 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 66.9 m -84.32 80.4 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.400000000000006 110.835 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 22.5 p -103.74 -25.98 12.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.908 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -107.86 -76.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 74.549999999999997 110.899 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.3 t -99.74 176.32 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 36.9 m -69.34 -178.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -83.77 -23.62 31.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 74.420000000000002 110.906 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.58 -23.94 39.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 74.439999999999998 111.096 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.71 -60.52 2.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 65.439999999999998 110.894 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -50.87 -37.82 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.848 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 99.9 t -69.25 -48.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.25 111.08 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -57.37 -36.72 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -74.52 -49.74 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 110.9 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.2 -41.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.35 -44.18 30.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 74.209999999999994 111.052 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.35 -25.55 67.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 71.140000000000001 111.142 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -69.6 -26.46 64.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 75.409999999999997 110.969 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -95.79 33.18 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 75.219999999999999 110.898 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.549999999999997 110.868 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.8 ptt? . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.792 0.33 . . . . 72.150000000000006 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.74 -179.55 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 72.209999999999994 111.073 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.8 m -133.44 99.37 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.200000000000003 110.85 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.4 ttt -122.07 83.15 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 75.329999999999998 110.827 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.8 p 49.96 39.46 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 75.409999999999997 111.137 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.01 175.97 26.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.747 . . . . 65.120000000000005 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.71 145.54 17.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 73.150000000000006 112.504 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -83.11 60.71 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.736 0.303 . . . . 72.510000000000005 110.86 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -113.51 167.68 10.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 73.209999999999994 110.934 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.46 172.45 11.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.450000000000003 110.918 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.32 -122.14 1.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 70.439999999999998 112.476 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -134.35 171.88 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.362 . . . . 75.0 110.796 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -86.42 160.6 50.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 75.430000000000007 110.915 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -15.48 37.43 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 63.420000000000002 112.38 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -55.96 -25.45 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.921 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -54.47 -27.15 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 75.140000000000001 110.92 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -52.01 136.84 28.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 73.439999999999998 110.945 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -75.2 73.23 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.530000000000001 110.933 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -122.07 -35.56 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.340000000000003 110.828 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -66.69 -18.62 65.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 72.129999999999995 110.864 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.77 12.7 12.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.134 -0.484 . . . . 72.109999999999999 110.919 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -51.95 152.5 3.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 71.150000000000006 110.865 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 t0 56.36 51.43 11.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 110.922 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 p -120.0 42.77 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 75.099999999999994 110.846 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -109.93 -87.81 1.85 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 65.519999999999996 112.543 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 96.1 m -143.24 143.0 31.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 65.329999999999998 110.882 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.19 -151.62 20.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 70.439999999999998 112.462 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.63 96.76 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 73.140000000000001 112.552 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.79 54.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 53.409999999999997 112.494 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.68 136.79 45.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 63.130000000000003 110.909 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.36 100.08 2.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 71.420000000000002 112.494 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.28 143.45 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.779 0.323 . . . . 55.109999999999999 111.12 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -95.69 26.42 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 42.549999999999997 110.908 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 t -146.71 49.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 75.140000000000001 111.125 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.66 141.98 3.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 71.450000000000003 112.476 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.89 174.06 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 75.299999999999997 111.174 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -110.68 112.86 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.219999999999999 110.851 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.32 122.49 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 110.842 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.53 119.93 39.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 63.32 110.908 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.22 141.14 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.540000000000006 111.098 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.7 m -146.72 157.45 43.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 64.430000000000007 110.884 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 t30 64.3 49.13 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 74.430000000000007 110.925 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.46 166.38 11.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 75.420000000000002 110.896 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.98 177.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 62.130000000000003 110.876 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 1.664 ' HE1' ' CE2' ' A' ' 84' ' ' PHE . 54.5 m-85 -97.35 8.24 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.841 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.73 -3.37 34.6 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.743 -0.741 . . . . 63.240000000000002 112.378 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.0 t -53.61 148.57 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 74.040000000000006 111.153 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.22 160.6 43.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 74.430000000000007 110.794 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.86 -54.24 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.230000000000004 110.869 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.89 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 111.133 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.72 -53.74 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.864 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 pt -67.35 -35.95 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.239999999999995 111.154 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -61.07 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 75.439999999999998 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.51 -47.85 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.019999999999996 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.55 -65.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.109999999999999 110.861 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 122' ' ' PHE . 24.7 m-85 -59.35 -28.52 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 74.430000000000007 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.55 -31.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 64.219999999999999 111.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -30.74 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 72.349999999999994 110.902 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.636 ' HD1' ' CD2' ' A' ' 98' ' ' PHE . 18.5 m-85 -66.27 -52.71 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.519999999999996 110.839 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.73 -97.72 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 64.540000000000006 112.543 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -140.64 139.41 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 65.140000000000001 111.24 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.3 mt -119.21 154.99 32.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.150000000000006 110.893 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -36.5 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 110.874 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -149.4 147.51 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 75.239999999999995 110.888 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.88 123.92 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.209999999999994 111.11 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.51 157.39 43.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 71.010000000000005 111.187 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 p -121.73 144.54 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.340000000000003 111.105 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.89 134.46 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 64.409999999999997 110.863 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -119.25 158.19 26.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 74.219999999999999 110.945 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -96.01 174.57 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 54.439999999999998 110.847 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -21.56 59.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.120000000000005 110.853 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -76.64 -22.48 54.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.010000000000005 110.839 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.29 42.52 3.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 62.009999999999998 112.543 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -148.78 168.48 22.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 72.019999999999996 110.884 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.79 117.81 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 71.109999999999999 110.854 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -17.85 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 75.400000000000006 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.89 -10.27 12.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 71.420000000000002 112.453 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.5 p -142.24 141.26 32.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 73.219999999999999 111.125 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -114.56 169.84 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 111.073 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -139.64 108.56 6.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.540000000000006 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 p -127.8 127.8 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 61.039999999999999 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -96.08 123.37 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 73.140000000000001 110.858 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 95' ' ' PHE . 5.8 m-85 -83.39 151.97 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.519999999999996 110.898 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.87 -15.67 50.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.109999999999999 110.875 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.83 136.56 35.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.873 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -32.64 73.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 75.530000000000001 110.829 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 71.540000000000006 111.062 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.29 -23.37 48.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 62.329999999999998 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.0 -59.51 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 70.140000000000001 111.106 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.54 -40.22 82.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 73.040000000000006 110.971 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.96 -48.81 72.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 72.319999999999993 110.941 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 111.094 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -34.96 57.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.150000000000006 110.853 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -26.02 52.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 73.319999999999993 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.99 -14.05 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 64.209999999999994 110.912 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -105.48 -42.49 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 65.349999999999994 110.913 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -50.41 112.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 75.230000000000004 110.894 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.09 29.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 75.510000000000005 112.462 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 68.1 t -84.53 112.91 45.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 74.329999999999998 111.157 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.85 18.31 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.6 2.2 . . . . 71.239999999999995 112.367 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -125.37 97.99 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.450000000000003 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 t70 52.56 34.73 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.863 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.58 19.74 34.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 71.319999999999993 112.529 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.14 97.12 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 74.109999999999999 110.85 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 74.230000000000004 112.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.2 mtp -63.15 142.94 58.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.932 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -132.37 107.68 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 62.100000000000001 110.905 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.7 mp -112.36 143.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 63.5 111.082 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.27 144.08 48.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 74.219999999999999 110.933 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 8.8 tt -91.1 128.27 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.866 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 58.2 t -113.17 126.53 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 71.099999999999994 111.117 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.36 93.93 9.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 74.150000000000006 111.087 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.5 p -167.82 150.49 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 63.420000000000002 110.845 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -132.46 162.63 30.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 74.25 110.863 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 25.9 mm -132.17 -49.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 111.16 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -54.39 151.28 7.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.010000000000005 110.864 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.1 mt -89.05 -25.13 22.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.319999999999993 110.942 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.77 -29.9 42.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 72.010000000000005 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -75.12 -35.94 61.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.764 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -76.83 102.36 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 72.530000000000001 110.873 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -146.29 179.56 7.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.129999999999995 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -53.92 171.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 74.140000000000001 110.88 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -106.1 -72.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.129999999999995 110.807 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 71.25 110.782 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 121.398 0.443 . . . . 54.039999999999999 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 174.84 8.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 74.5 112.353 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 16.9 tp -169.53 124.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 73.450000000000003 110.9 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.7 173.42 29.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 75.420000000000002 112.457 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -119.49 -34.77 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 54.450000000000003 110.872 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.9 m -60.5 172.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.873 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 21.4 m -76.63 -71.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.109999999999999 110.914 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -54.02 -76.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 110.935 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -154.12 174.14 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.040000000000006 111.173 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.7 m -67.31 153.9 42.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 62.43 110.822 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -61.09 -25.63 67.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 73.450000000000003 110.937 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.11 -26.65 48.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 111.078 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -69.73 -48.41 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 110.807 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -59.18 -39.79 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.099999999999994 110.806 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.6 t -68.09 -60.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 62.310000000000002 111.087 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -55.09 -29.65 58.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 62.310000000000002 110.847 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.29 -38.18 43.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 74.200000000000003 110.918 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.57 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 75.450000000000003 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.11 -46.38 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 72.319999999999993 111.111 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.47 -50.52 59.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 75.319999999999993 111.098 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -57.05 -24.9 57.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.927 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -94.93 51.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 71.340000000000003 110.879 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.437 -0.265 . . . . 54.33 112.437 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.3 161.97 30.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 61.12 111.093 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -103.97 113.57 27.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 73.33 110.843 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.789 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -93.19 139.61 30.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 54.22 110.9 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.64 108.49 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 73.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.8 t -90.57 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.09 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.587 ' HA ' HG22 ' A' ' 117' ' ' THR . 54.4 p -144.63 159.52 42.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.31 110.887 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.11 45.98 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 64.51 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.68 158.57 17.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.936 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.488 ' CG ' HD23 ' A' ' 140' ' ' LEU . 49.8 m-20 -55.55 177.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.861 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -93.15 -7.42 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.884 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.24 -17.32 59.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 35.43 112.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 82' ' ' LEU . 10.6 p -50.65 142.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.31 111.16 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.0 m -145.68 167.18 23.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 55.41 110.788 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -59.91 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 62.1 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -38.9 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 44.43 111.105 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -60.66 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 63.54 110.848 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.909 HD12 HG22 ' A' ' 120' ' ' VAL . 43.1 pt -61.06 -29.13 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 72.2 111.122 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.471 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.47 -61.22 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.908 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.49 -46.93 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.51 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.16 -66.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 54.25 110.923 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.723 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.6 m-85 -59.64 -27.22 66.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 51.24 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.92 -30.09 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.873 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -68.28 -50.25 54.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.885 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.97 -102.74 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 71.11 112.438 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 m -133.55 138.38 46.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.332 . . . . 72.2 111.149 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 95' ' ' PHE . 41.7 mt -113.86 145.35 41.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.905 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -100.65 -25.38 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.915 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 156.72 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 63.31 110.938 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.11 132.06 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 52.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.02 157.13 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 74.24 111.099 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 118' ' ' ALA . 9.6 p -132.35 149.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 52.54 111.16 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.874 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.856 0.36 . . . . 74.35 110.85 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.88 -31.78 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 61.54 110.89 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.87 -20.97 3.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.745 -0.74 . . . . 44.21 112.486 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 80' ' ' SER . 66.4 p -132.79 142.14 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 71.21 111.183 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.58 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -125.55 166.59 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.23 111.074 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.39 127.3 40.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 62.2 110.887 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.909 HG22 HD12 ' A' ' 91' ' ' ILE . 3.2 t -129.36 127.13 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 75.52 111.118 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.12 115.5 27.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 65.13 110.895 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.617 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.4 m-85 -88.09 139.97 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.04 110.914 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.45 -15.81 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 145.35 42.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.918 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -32.72 62.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -63.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 75.44 111.095 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.25 -28.17 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 71.51 110.87 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.789 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -71.14 -57.18 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.15 111.051 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.705 HD23 HD22 ' A' ' 149' ' ' LEU . 1.3 tm? -57.83 -42.52 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.828 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.13 -46.15 78.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 61.41 110.934 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.16 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 72.12 111.064 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.539 ' HE3' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.853 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -78.39 -25.57 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 54.04 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -89.39 -10.99 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.936 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.1 m-30 -109.76 -41.38 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 71.24 110.883 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -50.75 112.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 65.14 110.888 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.98 5.23 33.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 44.31 112.482 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.728 HG21 ' HB2' ' B' ' 116' ' ' ALA . 53.3 t -87.75 112.68 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.732 . . . . 73.21 111.108 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.56 21.49 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 75.01 112.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.488 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.9 tp -127.63 97.75 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 50.71 37.02 15.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.44 20.2 38.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 61.33 112.485 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -140.88 93.89 8.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 71.51 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.09 4.4 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.72 2.28 . . . . 72.32 112.339 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 mtp -65.27 143.23 57.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 44.11 110.901 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -133.57 110.92 10.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 71.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.4 mp -106.06 139.34 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 44.33 111.151 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.71 115.94 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.21 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.719 ' HA ' HD13 ' A' ' 77' ' ' LEU . 7.2 tp -76.13 123.75 26.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 63.21 110.887 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 53.44 111.085 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.656 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.8 t90 . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 120.762 0.315 . . . . 75.43 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -77.78 -30.99 51.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 52.24 111.076 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.21 -49.48 67.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 55.11 110.844 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -58.83 -38.74 79.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 44.21 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 108' ' ' TRP . 65.9 t -66.81 -60.11 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.34 111.217 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -54.13 -33.1 56.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 62.54 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.31 -41.06 63.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.83 98.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 55.54 111.082 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.22 111.088 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.449 -0.26 . . . . 62.44 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.9 155.59 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 41.13 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -90.6 113.74 25.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 54.41 110.919 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.693 HD21 ' HB1' ' A' ' 128' ' ' ALA . 2.6 mm? -99.75 133.33 44.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.24 110.919 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -117.05 127.18 53.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.961 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.67 141.95 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 71.51 111.113 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.597 ' HA ' HG22 ' A' ' 117' ' ' THR . 49.9 m -142.63 155.86 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 60.43 110.876 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.07 47.78 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.889 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -111.41 156.89 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.955 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 86' ' ' VAL . 20.4 m-20 -57.55 177.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.02 110.92 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -88.27 -24.56 23.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 65.23 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.31 -21.05 70.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 43.15 112.487 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 82' ' ' LEU . 7.6 p -50.63 145.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 64.35 111.133 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -149.39 167.37 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.879 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.62 -59.22 4.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.853 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.99 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 64.44 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -56.85 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.971 HD12 HG22 ' A' ' 120' ' ' VAL . 41.4 pt -65.19 -29.69 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 45.31 111.131 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.432 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -62.07 -61.01 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.942 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.55 -46.81 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.569 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.3 OUTLIER -51.38 -66.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 74.35 110.941 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.722 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.5 m-85 -58.74 -28.37 65.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.889 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.01 70.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 71.44 111.139 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -30.43 58.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 44.43 110.846 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -70.04 -49.4 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 62.45 110.906 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.05 -114.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 75.4 112.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -127.02 130.33 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 75.42 111.181 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 95' ' ' PHE . 40.4 mt -107.37 147.84 29.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.891 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -98.22 -25.61 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.54 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.11 156.31 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.938 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.432 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -156.19 127.01 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 55.23 111.118 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 157.27 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 71.34 111.084 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.3 p -125.8 144.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 72.21 111.159 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.846 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.933 0.396 . . . . 74.13 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.52 -27.04 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 54.1 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 -13.41 5.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.14 112.449 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 80' ' ' SER . 65.0 p -140.58 141.71 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 64.22 111.144 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -119.84 168.21 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.24 111.106 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.37 125.29 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.971 HG22 HD12 ' A' ' 91' ' ' ILE . 3.2 t -131.44 129.88 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.098 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -95.65 115.28 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.826 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -88.19 143.27 27.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 75.15 110.848 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -79.77 -20.21 46.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 71.34 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 140.26 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.857 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.467 ' HG2' HD11 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -73.69 -28.89 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.2 110.851 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 61.44 111.172 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.62 -33.63 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 42.52 110.858 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.693 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -66.93 -42.04 86.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 61.02 111.076 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.9 OUTLIER -66.33 -49.31 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 63.35 110.986 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -37.97 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.864 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.69 -61.26 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 61.3 111.093 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -32.25 65.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.844 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -77.8 -29.41 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 64.31 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -89.75 -11.6 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 63.15 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -105.17 -42.46 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.934 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -50.31 112.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.935 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.17 -0.85 29.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 63.52 112.502 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' B' ' 116' ' ' ALA . 57.8 t -81.52 113.31 41.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 55.43 111.108 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.19 20.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 72.44 112.339 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tp -127.51 97.75 4.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.946 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t0 51.85 36.55 18.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 64.44 110.871 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.89 19.3 40.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.22 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.14 97.83 6.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 64.14 110.902 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 115.77 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 73.04 112.37 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.451 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.3 mtp -63.14 143.47 57.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.869 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -134.28 107.89 7.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 52.53 110.869 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.615 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.2 mp -107.32 136.55 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.25 111.136 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -125.01 129.09 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 51.12 110.95 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 125' ' ' ARG . 10.4 tt -87.59 123.08 32.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.927 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 50.3 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 65.44 111.147 179.842 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.652 ' O ' HG23 ' B' ' 112' ' ' VAL . 65.8 t90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.824 0.345 . . . . 74.33 110.906 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -72.93 -32.68 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.23 111.088 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.63 -57.7 8.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 63.23 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -51.51 -34.19 35.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.919 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 108' ' ' TRP . 94.9 t -69.31 -60.28 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 71.43 111.175 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -59.66 -23.4 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 71.41 110.9 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.36 -45.68 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.918 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.68 -28.42 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 43.03 111.094 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 70.12 111.096 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 72.31 112.514 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.41 168.67 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 74.3 111.191 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -105.92 113.82 27.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 52.33 110.906 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.809 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -94.13 139.66 30.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 52.22 110.943 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -118.64 109.42 16.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.964 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.68 141.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 75.1 111.111 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.459 ' CB ' HG22 ' A' ' 117' ' ' THR . 50.6 m -146.23 160.71 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.845 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 t30 64.0 42.52 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.866 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.665 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -105.72 158.29 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 54.24 110.907 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.495 ' CG ' HD23 ' A' ' 140' ' ' LEU . 58.9 m-20 -54.95 177.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.882 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -93.82 0.42 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.863 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.3 -16.65 36.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 72.54 112.429 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.665 HG11 HD13 ' A' ' 82' ' ' LEU . 7.5 p -50.73 145.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 52.41 111.174 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 m -147.95 167.65 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.885 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.04 -60.73 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 74.11 110.883 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.83 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 52.3 111.078 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -61.37 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 71.32 110.849 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.096 HD12 HG22 ' A' ' 120' ' ' VAL . 46.3 pt -60.77 -28.26 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 72.14 111.122 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -62.03 -61.16 2.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.942 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.36 -47.19 86.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.77 -66.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 72.32 110.943 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.75 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.9 m-85 -58.85 -27.48 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.3 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 61.21 111.092 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -52.65 -30.71 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.938 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -69.56 -50.9 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 74.04 110.923 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.97 -120.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 75.01 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 m -127.0 107.77 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 74.32 111.158 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 95' ' ' PHE . 82.9 mt -77.97 165.42 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 72.42 110.928 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -30.27 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.902 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.66 156.22 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 63.24 110.829 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.93 134.69 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 65.11 111.061 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 153.74 40.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 52.14 111.054 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -130.65 152.17 37.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.105 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.55 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.858 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.943 0.402 . . . . 73.53 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 107' ' ' ASP . 9.9 mt -63.8 -26.4 68.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 74.43 110.96 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.18 -15.43 4.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 44.52 112.505 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.459 HG22 ' CB ' ' A' ' 80' ' ' SER . 19.5 p -135.11 141.83 46.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 72.12 111.109 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -127.63 166.05 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.23 111.133 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.01 122.99 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.829 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 1.096 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -124.96 130.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 63.44 111.16 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -95.61 114.03 25.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.51 110.802 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.549 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.4 m-85 -86.76 133.47 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 70.44 110.847 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.43 -14.48 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.457 HH12 HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -139.44 142.38 37.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 64.41 110.898 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -30.79 58.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.43 -64.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 65.31 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -26.81 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.04 110.83 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.809 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -64.95 -51.55 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.1 tm? -68.12 -40.47 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.91 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -65.55 -48.41 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 61.33 110.902 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.9 -60.31 3.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 74.42 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.89 53.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.877 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -77.45 -28.61 52.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.909 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.17 -11.1 44.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 64.14 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -106.39 -43.82 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.013 0.435 . . . . 73.32 110.96 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -50.46 112.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 63.14 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.84 1.75 30.39 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.706 -0.759 . . . . 70.12 112.468 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.676 HG21 ' HB2' ' B' ' 116' ' ' ALA . 59.5 t -84.9 112.78 45.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 71.14 111.112 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.91 18.4 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.72 2.28 . . . . 73.34 112.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.495 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.1 tp -125.02 97.7 5.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.959 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.0 t0 51.62 35.25 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 65.53 110.911 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.63 34.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 62.13 112.52 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.98 95.51 7.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 72.52 110.897 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 116.27 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 62.32 112.325 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.93 145.63 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.833 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -135.27 107.75 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 64.41 110.871 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.31 131.11 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 73.24 111.141 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.03 115.76 25.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 64.3 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.754 ' HA ' HD13 ' A' ' 77' ' ' LEU . 17.1 tp -76.7 128.16 34.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.45 110.989 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.45 111.19 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.647 ' O ' HG23 ' B' ' 112' ' ' VAL . 67.4 t90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 63.3 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -78.14 -30.67 49.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.4 111.087 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.98 -52.47 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 65.33 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -56.67 -40.24 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 65.15 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 108' ' ' TRP . 91.9 t -64.18 -60.28 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 63.05 111.099 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -55.02 -30.29 59.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.874 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -75.47 -37.54 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.876 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.76 78.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 44.43 111.1 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.45 111.181 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.527 -0.229 . . . . 74.55 112.527 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.13 178.44 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 72.42 111.058 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -112.76 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 53.1 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.939 HD11 ' HB1' ' A' ' 128' ' ' ALA . 2.9 mp -118.53 136.61 53.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.869 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 118' ' ' ALA . 52.7 tp -113.39 114.07 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.87 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.6 t -90.89 148.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 64.21 111.145 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.451 ' CB ' HG22 ' A' ' 117' ' ' THR . 58.8 m -148.34 161.56 41.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 64.33 110.865 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 65.39 42.51 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 71.52 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.674 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -107.13 157.89 17.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.866 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.34 177.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.867 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -91.99 -14.65 29.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.864 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.59 -16.89 76.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 74.33 112.513 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.674 HG11 HD13 ' A' ' 82' ' ' LEU . 11.3 p -50.26 146.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.786 0.327 . . . . 74.13 111.173 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.1 m -149.59 165.59 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.24 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -60.17 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.842 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.66 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.3 111.061 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -60.26 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.87 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.805 HD12 HG22 ' A' ' 120' ' ' VAL . 44.4 pt -61.44 -29.1 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 41.43 111.17 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -61.06 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.1 -46.85 88.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.429 HD13 HG11 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -51.44 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.945 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.722 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.2 m-85 -59.22 -27.25 65.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 75.45 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -30.17 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 51.53 111.037 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -55.54 -30.07 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.823 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -69.3 -50.69 44.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.836 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.53 -115.92 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 72.0 112.462 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 m -129.54 117.08 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 71.4 111.186 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 95' ' ' PHE . 47.0 mt -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.22 110.894 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.88 -32.16 5.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.897 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 150.92 28.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.98 131.21 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 64.01 111.119 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 119' ' ' ASP . . . -146.24 157.56 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.44 111.098 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.0 p -129.01 151.0 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 70.01 111.099 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.937 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.906 0.384 . . . . 72.54 110.956 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.94 -27.54 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 52.41 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.26 -16.4 3.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 63.1 112.46 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.451 HG22 ' CB ' ' A' ' 80' ' ' SER . 29.9 p -140.2 141.61 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 63.22 111.098 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -124.39 169.36 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.098 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.5 ' OD2' ' HB3' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -127.87 128.45 45.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 63.45 110.937 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.805 HG22 HD12 ' A' ' 91' ' ' ILE . 2.1 t -132.68 126.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 64.13 111.127 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -98.29 113.87 25.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.773 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 77' ' ' LEU . 4.3 m-85 -85.06 148.66 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.11 -15.69 55.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 50.1 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.405 ' HG3' ' HB2' ' A' ' 127' ' ' ASP . 0.0 OUTLIER -138.29 140.4 39.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.35 110.861 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.624 ' HD2' HD11 ' A' ' 149' ' ' LEU . 11.4 tpt180 -69.91 -42.67 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.879 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.07 -63.94 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 73.24 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.405 ' HB2' ' HG3' ' A' ' 124' ' ' ARG . 15.3 t70 -52.88 -37.3 60.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 75.35 110.869 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.939 ' HB1' HD11 ' A' ' 77' ' ' LEU . . . -61.46 -44.23 97.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.133 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -68.55 -44.71 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.885 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -63.58 -43.53 96.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 54.14 110.858 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.17 -62.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 63.01 111.091 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -32.89 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.03 110.886 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -78.9 -27.66 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 72.41 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -10.54 45.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.493 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.0 m-30 -108.37 -43.96 4.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 75.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -49.09 112.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.874 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.41 5.21 32.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 41.12 112.505 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 135' ' ' TYR . 50.3 t -87.56 112.01 45.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 65.22 111.083 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.63 129.35 17.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 70.32 112.386 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.99 98.07 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 71.15 110.894 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.1 t70 51.7 33.41 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.85 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.76 20.03 27.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.788 -0.72 . . . . 23.12 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.15 97.01 7.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.612 0.72 . . . . 74.01 110.786 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 116.43 4.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.628 2.219 . . . . 74.33 112.331 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 mtp -65.68 141.26 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.846 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -130.56 107.69 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.89 126.93 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 62.41 111.102 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 74.24 110.944 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.624 HD11 ' HD2' ' A' ' 125' ' ' ARG . 10.4 tt -77.17 134.71 38.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 64.14 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 71.53 111.147 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.534 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 64.8 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.762 0.315 . . . . 64.44 110.894 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.29 -22.58 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 61.43 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.46 -57.74 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.785 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.23 -49.47 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.816 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.429 HG11 HD13 ' A' ' 94' ' ' LEU . 7.0 p -67.54 -36.45 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 64.31 111.099 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -59.04 -41.17 87.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 55.45 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.93 -42.23 49.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.49 76.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.32 111.096 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 64.15 111.019 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.473 -0.251 . . . . 62.44 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.83 167.69 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 35.24 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -106.99 113.21 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.941 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.848 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm? -93.84 139.43 30.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.856 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 tp -120.36 112.68 19.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.844 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.31 142.86 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 75.1 111.138 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.595 ' HA ' HG22 ' A' ' 117' ' ' THR . 91.7 p -145.86 155.7 43.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 52.22 110.813 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 64.63 46.46 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.906 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -107.82 157.69 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.889 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 177.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 54.25 110.844 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -92.01 -12.66 32.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.869 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.46 -16.96 72.33 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.745 -0.74 . . . . 64.12 112.421 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 82' ' ' LEU . 9.2 p -50.9 145.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 54.43 111.17 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 166.03 30.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 72.54 110.862 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.38 -60.37 2.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.847 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.09 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.21 111.123 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -60.31 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 51.33 110.936 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.98 HD12 HG22 ' A' ' 120' ' ' VAL . 42.1 pt -61.67 -29.48 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -61.03 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.03 110.924 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.69 -47.07 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.51 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.584 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.16 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.9 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.1 m-85 -58.83 -28.44 66.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.917 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.72 -30.68 71.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 54.01 111.138 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -30.71 43.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.887 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -69.29 -50.92 42.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 60.12 110.898 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.03 -111.3 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 74.23 112.49 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -127.8 133.66 49.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.346 . . . . 75.23 111.134 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 41.0 mt -111.49 146.26 37.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.875 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -101.48 -27.18 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.908 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 146.92 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.32 110.821 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.74 112.4 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.52 111.092 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.7 157.21 47.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 74.15 111.142 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.9 p -124.36 145.49 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 72.13 111.172 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.879 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.915 0.388 . . . . 71.3 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.94 -29.3 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 72.01 110.891 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.72 -15.4 4.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 41.24 112.51 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 80' ' ' SER . 82.4 p -134.03 141.8 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 74.15 111.211 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -119.21 164.87 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.34 111.095 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.21 118.52 22.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.98 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -127.33 125.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.13 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -95.56 114.98 26.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.601 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.9 m-85 -85.16 144.92 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 70.31 110.894 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -78.19 -16.65 57.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 75.02 110.883 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.86 143.99 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 74.03 110.838 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -34.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.804 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.52 111.045 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.778 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.848 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.96 -50.59 54.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.099 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.3 tm? -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 70.54 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -64.99 -44.85 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.934 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.69 -61.72 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 70.2 111.057 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -34.18 53.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 71.44 110.891 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -78.06 -27.55 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -89.15 -11.33 44.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 70.22 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.481 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.16 -43.28 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.879 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -50.52 112.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 64.53 110.953 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.26 3.46 33.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 64.33 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 135' ' ' TYR . 56.1 t -86.57 112.77 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 70.51 111.14 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 129.95 18.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.724 2.283 . . . . 72.22 112.335 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.657 ' CD1' HG22 ' B' ' 112' ' ' VAL . 8.1 tp -124.48 97.89 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 65.53 110.91 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 t70 50.91 34.82 11.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 70.45 110.856 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.51 19.75 31.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 75.43 112.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.1 95.19 7.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 71.44 110.882 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 72.45 112.325 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -65.03 146.08 55.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.871 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -135.66 107.74 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 63.23 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.06 132.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 54.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.7 115.89 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.951 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.774 ' HA ' HD13 ' A' ' 77' ' ' LEU . 8.4 tt -76.23 129.51 36.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.03 110.942 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.51 111.164 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.509 ' O ' HG23 ' B' ' 112' ' ' VAL . 66.3 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.732 0.301 . . . . 74.33 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -79.61 -25.1 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.53 111.116 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -58.35 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -51.83 -37.14 50.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.845 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.657 HG22 ' CD1' ' A' ' 140' ' ' LEU . 60.3 t -72.15 -41.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.13 111.123 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.584 ' HG3' HD12 ' A' ' 94' ' ' LEU . 53.9 mtp180 -63.9 -37.48 87.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.861 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.74 -35.85 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.12 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.45 88.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.32 111.117 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 74.43 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.465 -0.254 . . . . 71.13 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.41 172.1 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 72.52 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -110.1 113.36 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.32 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.853 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.9 mm? -92.94 140.61 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 43.34 110.949 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.0 tp -121.04 110.11 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 62.22 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.59 143.6 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.02 111.117 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.406 ' CB ' HG22 ' A' ' 117' ' ' THR . 49.0 m -147.41 158.91 44.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.846 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.03 42.66 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 55.52 110.834 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -106.75 156.2 18.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.893 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.4 177.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.32 110.877 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -90.17 -18.46 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -19.71 79.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 60.32 112.551 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.606 HG11 HD13 ' A' ' 82' ' ' LEU . 9.7 p -50.35 146.46 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 33.14 111.176 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 165.08 33.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 62.04 110.874 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -59.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 53.41 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.18 77.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.12 111.07 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -61.03 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.43 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.899 HD12 HG22 ' A' ' 120' ' ' VAL . 44.6 pt -61.12 -28.7 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.0 111.056 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -61.6 -61.27 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 64.12 110.862 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.19 -47.32 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.76 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.04 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.984 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.72 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.9 m-85 -59.92 -27.88 67.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.875 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -64.26 -30.5 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 61.23 111.11 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.12 -31.32 51.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.885 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -67.98 -49.04 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.897 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.01 -120.28 0.53 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 73.52 112.472 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -124.09 112.99 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 71.41 111.085 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.72 HD11 ' CB ' ' A' ' 95' ' ' PHE . 46.8 mt -86.14 154.39 21.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.871 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -33.72 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.891 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -157.18 150.75 24.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 73.01 110.881 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.563 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -156.04 127.09 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.2 111.037 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.03 151.06 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -120.18 152.41 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 63.31 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.491 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.871 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.833 0.349 . . . . 63.2 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 107' ' ' ASP . 6.3 mt -69.77 -24.63 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.922 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.81 -14.88 5.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.819 -0.705 . . . . 70.14 112.511 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.406 HG22 ' CB ' ' A' ' 80' ' ' SER . 82.4 p -138.22 141.66 39.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.78 0.324 . . . . 71.31 111.134 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.97 162.22 23.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.061 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -126.57 126.07 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 54.24 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.899 HG22 HD12 ' A' ' 91' ' ' ILE . 2.7 t -134.89 125.87 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 63.43 111.118 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -95.28 119.4 33.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 70.22 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.609 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.6 m-85 -88.97 134.31 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.45 110.886 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.82 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.884 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 143.56 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.933 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.91 -33.03 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 70.23 110.897 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.09 -64.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.16 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -26.24 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.853 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -64.88 -50.8 65.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.25 111.059 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.1 tm? -69.01 -38.44 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 61.44 110.89 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -67.53 -47.65 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.943 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.56 -57.26 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.21 111.081 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -33.62 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -76.4 -28.68 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 73.51 110.9 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -89.22 -14.35 36.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.4 m-30 -101.9 -43.99 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.836 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -50.48 112.04 0.63 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 71.04 110.872 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.64 2.71 28.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.663 -0.779 . . . . 73.53 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.9 t -84.36 112.67 43.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 75.44 111.1 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 132.0 22.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 74.3 112.337 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.653 ' CD1' HG22 ' B' ' 112' ' ' VAL . 9.0 tp -129.51 97.85 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.03 110.986 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.57 37.07 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 64.23 110.854 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.47 20.66 40.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 54.3 112.496 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.06 94.39 7.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 75.24 110.915 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 116.19 4.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 73.11 112.371 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mtp -62.11 144.77 54.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 52.45 110.946 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -134.69 107.74 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 70.24 110.833 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.11 137.37 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 63.32 111.142 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.94 115.75 21.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.891 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.756 ' HA ' HD13 ' A' ' 77' ' ' LEU . 10.3 tt -76.87 126.87 31.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 62.32 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 55.13 111.098 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.595 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 68.9 t90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.699 0.285 . . . . 74.44 110.898 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.24 -31.07 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.42 111.079 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.23 -56.47 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.55 -47.72 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.842 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.653 HG22 ' CD1' ' A' ' 140' ' ' LEU . 58.9 t -63.83 -50.67 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 70.43 111.112 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.76 ' HG3' HD12 ' A' ' 94' ' ' LEU . 50.5 mtm180 -52.01 -37.37 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.915 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.63 -47.93 43.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 64.23 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.77 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.53 111.084 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.42 111.07 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.51 -0.236 . . . . 61.32 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.8 153.45 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 62.41 111.09 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.744 ' C ' HD22 ' A' ' 77' ' ' LEU . 40.1 ttpt -83.74 152.77 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 71.51 110.923 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.744 HD22 ' C ' ' A' ' 76' ' ' LYS . 4.0 mm? -134.24 106.76 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp -89.47 109.54 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 51.54 110.953 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.433 ' CG1' HD23 ' A' ' 82' ' ' LEU . 83.3 t -90.96 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.35 111.196 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 117' ' ' THR . 49.0 m -146.15 160.81 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.878 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 65.37 43.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 62.21 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.6 160.75 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.21 110.889 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.485 ' CG ' HD23 ' A' ' 140' ' ' LEU . 73.8 m-20 -54.89 177.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.14 110.833 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -94.0 3.66 55.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.946 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.47 -16.94 25.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 21.51 112.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 82' ' ' LEU . 9.8 p -50.71 148.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 62.5 111.158 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m -149.29 166.69 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 25.12 110.893 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -59.14 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.939 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.73 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 75.34 111.094 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 74.04 110.891 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.6 pt -60.63 -34.64 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.155 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.461 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -54.28 -61.56 2.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 71.32 110.883 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.91 -47.45 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.841 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.575 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.31 -65.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.891 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.702 ' CD2' HG11 ' A' ' 120' ' ' VAL . 22.0 m-85 -59.09 -29.38 67.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.917 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -62.92 -31.43 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.21 111.061 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -30.94 44.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -66.16 -52.23 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.88 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.69 -97.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 73.52 112.501 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -139.9 137.88 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 64.34 111.114 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 95' ' ' PHE . 43.0 mt -116.1 144.25 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 73.43 110.97 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -91.55 -29.96 16.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 63.33 110.947 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.31 158.09 13.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.878 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -154.9 131.2 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 73.4 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.31 157.53 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 75.44 111.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.36 152.52 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 74.21 111.066 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.823 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.829 0.347 . . . . 40.13 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.65 -25.18 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 70.51 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.26 -8.51 5.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.72 . . . . 30.13 112.493 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 80' ' ' SER . 45.5 p -140.63 141.99 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 73.34 111.221 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.62 170.22 9.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 62.53 111.067 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.47 114.88 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 54.41 110.904 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.702 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -129.41 131.51 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 73.52 111.099 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -95.84 121.85 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 52.13 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.542 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.1 m-85 -85.52 137.51 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 63.31 110.89 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -67.77 -16.39 64.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.981 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.8 148.35 42.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 73.21 110.788 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -32.8 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.1 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 -63.38 1.29 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 55.14 111.122 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -53.55 -27.82 28.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.719 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.23 -59.49 2.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 53.15 111.088 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.2 tm? -56.23 -42.97 78.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 62.53 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -64.55 -47.19 79.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 62.12 110.921 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.35 -61.11 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 65.52 111.119 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -34.28 52.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 53.02 110.901 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' NZ ' HD11 ' A' ' 129' ' ' LEU . 18.9 ttmt -77.78 -27.67 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.37 -10.88 44.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.956 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.3 m-30 -107.95 -40.87 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 74.22 110.905 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.14 112.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 64.02 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.42 5.51 34.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 43.41 112.498 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 135' ' ' TYR . 52.4 t -85.5 112.66 45.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 50.12 111.121 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 130.42 19.22 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.637 2.225 . . . . 61.11 112.381 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.485 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.9 tp -127.6 97.72 4.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.975 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.5 t0 51.36 36.61 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.51 110.894 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.8 20.55 36.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 54.1 112.476 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 96.12 7.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 73.23 110.911 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 71.45 112.354 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.79 146.03 53.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.804 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -136.54 107.55 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 55.32 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.404 HG13 HG22 ' A' ' 79' ' ' VAL . 5.2 mp -106.14 135.72 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.117 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.89 115.47 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 71.34 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.73 ' HA ' HD13 ' A' ' 77' ' ' LEU . 10.1 tt -73.73 122.36 22.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 72.04 110.952 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 71.13 111.092 179.823 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.639 ' O ' HG23 ' B' ' 112' ' ' VAL . 57.8 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.903 0.382 . . . . 74.32 110.962 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -79.34 -30.85 42.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 74.52 111.124 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -52.62 44.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -55.58 -37.34 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.874 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 108' ' ' TRP . 89.5 t -67.81 -60.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 64.05 111.107 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -56.32 -30.25 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.816 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.59 -43.82 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 72.51 110.927 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 61.22 111.095 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 64.21 111.135 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.448 -0.261 . . . . 72.44 112.448 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.58 176.0 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 52.3 111.068 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -111.87 113.52 25.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.907 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -96.48 118.49 33.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.93 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.4 tp -97.41 108.18 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.901 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 23.7 t -91.24 145.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 53.3 111.116 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.401 ' OG ' HG22 ' A' ' 117' ' ' THR . 8.5 t -150.58 164.57 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.5 110.866 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 63.7 36.2 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.941 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -102.94 159.34 15.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.893 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -54.77 177.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.23 110.871 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.89 -10.08 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.94 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.42 -19.07 62.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 71.22 112.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 82' ' ' LEU . 12.9 p -50.2 147.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 55.13 111.163 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -149.57 166.04 30.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.882 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.43 -59.1 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 70.52 110.858 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.54 81.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.23 111.061 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -61.01 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.821 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.43 -33.47 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 71.52 111.095 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.505 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -55.95 -61.27 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 75.04 110.864 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -62.23 -47.45 84.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 50.43 110.86 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.6 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.1 OUTLIER -51.17 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 61.13 110.908 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 101' ' ' LEU . 35.6 m-85 -59.42 -28.79 67.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.22 110.86 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.56 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.71 -30.42 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.33 110.817 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -67.26 -52.18 43.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 72.2 110.837 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.93 -99.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 75.13 112.51 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -138.97 136.37 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 53.01 111.145 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 95' ' ' PHE . 49.9 mt -112.77 146.5 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.23 110.918 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -31.99 11.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.94 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -158.21 153.57 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 74.51 110.865 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.505 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -155.69 127.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 52.41 111.09 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.47 157.49 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 42.13 111.119 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.3 p -125.49 152.58 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 70.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 65.52 110.891 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.896 0.379 . . . . 63.31 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.15 -24.64 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 60.41 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.96 5.74 7.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 61.24 112.513 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.401 HG22 ' OG ' ' A' ' 80' ' ' SER . 7.3 p -143.23 141.95 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 64.32 111.191 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -128.64 164.35 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.13 111.07 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -138.65 109.51 6.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.879 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.632 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -125.96 128.95 72.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 72.23 111.168 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -94.6 121.45 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.35 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.54 ' CD1' HD23 ' A' ' 77' ' ' LEU . 3.6 m-85 -80.17 146.02 32.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.853 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.76 -15.6 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 64.45 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 144.71 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.849 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -32.47 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.835 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.65 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.024 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.05 -28.28 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.41 110.824 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -65.25 -50.94 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.08 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.6 tm? -66.27 -43.31 86.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.882 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -46.22 83.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.933 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -62.33 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 74.31 111.14 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.91 -32.67 46.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 73.32 110.942 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -77.06 -29.8 55.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.876 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -10.86 45.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 72.12 110.869 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.495 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.6 m-30 -105.66 -43.77 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 74.24 110.878 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -50.97 112.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 75.05 110.891 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.02 0.65 31.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 72.35 112.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.1 t -81.78 113.1 40.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 73.11 111.177 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 130.1 18.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 60.01 112.358 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.411 ' CD1' HG22 ' B' ' 112' ' ' VAL . 7.9 tp -127.16 97.85 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 70.33 110.911 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.35 35.62 20.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.91 38.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 74.32 112.448 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.1 96.57 7.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 72.12 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.02 4.38 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.699 2.266 . . . . 52.02 112.34 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mtp -61.06 145.59 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.53 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -132.89 109.75 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 72.11 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.26 135.36 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 71.04 111.137 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.72 115.56 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.872 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.714 ' HA ' HD13 ' A' ' 77' ' ' LEU . 25.8 tp -71.78 124.85 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.44 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 52.12 111.149 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.634 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.3 t90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.35 . . . . 63.43 110.837 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -76.01 -35.85 59.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 53.22 111.06 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -55.9 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 65.02 110.836 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -51.2 -44.57 61.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 108' ' ' TRP . 62.4 t -62.63 -45.0 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 71.21 111.168 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.6 ' HG3' HD12 ' A' ' 94' ' ' LEU . 67.9 mtp180 -60.14 -37.53 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 60.4 110.828 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -70.51 -43.73 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.66 96.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 62.21 111.092 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 63.34 111.046 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.506 -0.237 . . . . 73.41 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.85 154.05 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 72.22 111.104 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -93.89 112.47 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.914 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 149' ' ' LEU . 3.7 mp -96.79 139.25 33.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.854 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 118' ' ' ALA . 28.0 tp -118.15 115.41 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.906 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 145.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 73.12 111.154 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 117' ' ' THR . 19.3 m -148.22 158.64 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.911 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.73 45.54 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.974 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.692 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -109.16 160.79 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 70.2 110.976 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.11 177.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.44 110.829 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -92.57 -14.38 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.899 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.52 -15.36 76.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 74.25 112.482 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.692 HG11 HD13 ' A' ' 82' ' ' LEU . 12.5 p -50.51 146.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 65.25 111.111 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -150.19 166.26 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.853 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.6 -59.67 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.52 77.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 74.53 111.144 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -60.42 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 74.22 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.034 HD12 HG22 ' A' ' 120' ' ' VAL . 46.5 pt -61.0 -28.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 73.55 111.149 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -60.63 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.2 -47.16 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 65.5 110.901 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.472 HD13 HG11 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -51.29 -66.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.894 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CB ' HD11 ' A' ' 101' ' ' LEU . 13.3 m-85 -57.93 -29.56 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 75.21 110.919 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.23 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.02 111.091 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -30.53 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.15 110.904 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -69.55 -51.35 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 62.15 110.847 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.61 -104.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 71.04 112.464 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 m -130.39 145.43 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 70.43 111.107 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.706 HD11 ' CB ' ' A' ' 95' ' ' PHE . 39.4 mt -124.8 147.32 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.883 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -101.49 -26.83 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.912 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.08 151.12 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.907 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.52 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -153.37 107.0 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 64.4 111.083 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.68 157.23 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 73.23 111.148 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 118' ' ' ALA . 9.5 p -127.31 149.39 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.05 111.127 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.909 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.921 0.391 . . . . 72.21 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.82 -24.6 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.936 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.98 -15.62 5.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.676 -0.773 . . . . 14.2 112.491 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 80' ' ' SER . 63.9 p -134.84 142.18 46.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 75.31 111.12 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -122.79 169.77 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.06 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.0 114.97 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.874 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 1.034 HG22 HD12 ' A' ' 91' ' ' ILE . 2.7 t -120.47 125.51 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 74.14 111.094 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -95.03 114.07 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.883 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -84.84 146.82 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 40.12 110.889 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -83.17 -15.31 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.92 142.97 42.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 64.43 110.871 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.593 ' HD2' HD11 ' A' ' 149' ' ' LEU . 12.1 tpt180 -75.11 -43.94 49.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.859 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 62.44 111.15 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.64 -35.17 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.864 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.429 ' HB1' HD12 ' A' ' 149' ' ' LEU . . . -64.22 -40.28 95.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 32.2 111.108 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -69.77 -46.39 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 62.51 110.91 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -64.07 -40.5 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.05 110.903 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.07 -61.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.075 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -33.05 60.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.04 110.828 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -78.87 -28.22 44.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 74.23 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.93 -11.03 45.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 72.32 110.919 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.05 -43.81 4.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 71.53 110.944 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -50.08 112.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 70.24 110.911 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.09 4.52 33.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 73.43 112.464 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 135' ' ' TYR . 53.5 t -86.22 112.47 46.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 53.44 111.128 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.63 17.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.239 . . . . 62.32 112.378 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.8 tp -124.95 97.81 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.929 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 51.42 35.23 13.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.862 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.68 20.01 32.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 51.23 112.543 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.97 95.19 7.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 71.42 110.819 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.05 4.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 64.32 112.321 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.7 mtp -63.6 146.74 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 74.03 110.828 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -135.5 108.88 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 55.01 110.901 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.62 135.5 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.108 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -127.65 114.36 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.12 110.937 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 77' ' ' LEU . 8.5 tt -74.48 131.28 40.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 70.52 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 73.0 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 61.22 111.146 179.834 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.539 ' CH2' HG23 ' A' ' 86' ' ' VAL . 65.5 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.727 0.298 . . . . 70.31 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.52 -25.17 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 54.02 111.103 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -69.31 -55.63 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 73.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -50.65 -49.38 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.872 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.472 HG11 HD13 ' A' ' 94' ' ' LEU . 6.5 p -66.8 -37.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.45 111.11 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -58.98 -40.14 83.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.856 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.2 -42.24 56.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.87 -44.78 78.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 53.34 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 64.01 111.1 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.523 -0.231 . . . . 73.2 112.523 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 150' ' ' VAL . . . -163.98 152.64 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 74.11 111.085 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -86.8 122.71 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.75 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.3 mm? -106.18 121.41 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.872 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 tp -98.51 126.05 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 61.43 110.875 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.582 ' CG1' HD23 ' A' ' 82' ' ' LEU . 89.8 t -105.19 142.79 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 54.02 111.092 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 117' ' ' THR . 19.3 m -149.1 161.57 41.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.862 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.89 45.06 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 64.22 110.906 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -110.36 159.35 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.962 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.61 177.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.805 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -93.78 -5.31 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 55.34 110.917 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.01 -15.09 56.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 71.51 112.518 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 82' ' ' LEU . 7.1 p -49.11 146.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 74.41 111.177 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.64 159.44 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.794 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.57 -49.82 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 71.42 110.82 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.49 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 50.23 111.101 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -52.04 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 60.4 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.703 HD12 ' CG1' ' A' ' 120' ' ' VAL . 17.1 pt -67.01 -37.73 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 62.3 111.142 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.509 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.13 -60.23 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.938 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -47.45 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 73.53 110.83 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.559 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.3 OUTLIER -51.74 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.847 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.731 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.2 m-85 -57.43 -29.98 64.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.878 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.23 72.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 75.02 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.81 -30.67 34.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.943 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -68.33 -52.03 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.885 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.51 -99.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.805 -0.712 . . . . 70.22 112.52 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -142.88 134.3 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 44.41 111.113 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 95' ' ' PHE . 66.2 mt -109.86 149.58 29.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 62.23 110.892 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -103.2 -27.42 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 154.7 26.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 62.15 110.918 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.35 129.48 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.31 111.152 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.99 157.35 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 72.13 111.125 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.77 149.5 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.869 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.912 0.387 . . . . 74.22 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.74 -25.26 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 63.52 110.898 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.78 -1.01 7.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 44.22 112.427 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 80' ' ' SER . 11.7 p -142.56 142.07 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 60.12 111.145 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -124.61 169.84 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 63.24 111.051 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.03 125.4 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 53.11 110.807 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.703 ' CG1' HD12 ' A' ' 91' ' ' ILE . 1.3 m -140.28 142.13 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 51.4 111.117 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -95.1 126.98 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 71.42 110.812 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 101' ' ' LEU . 13.1 m-85 -93.52 139.42 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 53.34 110.823 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.82 -24.97 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 71.4 110.88 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.2 142.07 47.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 64.3 110.948 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.26 62.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.12 110.893 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -63.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 65.52 111.118 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.37 -34.02 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 61.12 110.842 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.75 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -68.53 -45.77 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 53.35 111.134 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -60.64 -49.5 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.874 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.98 -41.17 97.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.913 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.43 -62.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 63.44 111.102 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -31.74 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.906 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -77.23 -29.76 54.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.951 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -89.65 -12.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 61.32 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.6 m-30 -103.89 -42.43 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.941 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -50.77 112.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.811 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 2.64 31.04 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 61.43 112.51 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' B' ' 116' ' ' ALA . 54.1 t -83.15 112.64 40.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 70.31 111.079 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 132.16 22.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.653 2.235 . . . . 64.31 112.352 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.867 HD11 HG22 ' B' ' 112' ' ' VAL . 0.4 OUTLIER -132.85 98.22 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.903 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.9 t0 54.3 38.04 28.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 65.44 110.85 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.98 21.04 51.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.4 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -140.9 95.5 7.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 73.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 115.77 4.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 74.42 112.354 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.8 mtp -60.1 147.39 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.0 107.63 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 61.34 110.843 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.439 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.0 mp -109.27 140.61 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 75.51 111.172 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.69 127.38 48.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.873 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.646 HD22 ' N ' ' A' ' 150' ' ' VAL . 1.0 OUTLIER -86.97 117.08 25.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.957 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.646 ' N ' HD22 ' A' ' 149' ' ' LEU . 55.6 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.688 ' O ' HG23 ' B' ' 112' ' ' VAL . 60.1 t90 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.794 0.331 . . . . 74.02 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -71.23 -31.92 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 63.2 111.033 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.79 -58.89 5.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 62.11 110.824 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -51.01 -34.07 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.841 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.867 HG22 HD11 ' A' ' 140' ' ' LEU . 92.1 t -67.58 -60.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.24 111.14 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -57.26 -24.79 57.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.49 -46.1 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 62.35 110.82 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.9 72.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 43.51 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 65.11 111.123 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.509 -0.236 . . . . 64.31 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.66 164.47 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 74.12 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -100.56 113.88 27.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.52 110.843 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.689 HD21 ' HB1' ' A' ' 128' ' ' ALA . 1.9 mm? -97.78 129.17 44.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.879 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 118' ' ' ALA . 48.5 tp -109.48 126.21 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.51 110.903 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.7 t -103.65 146.47 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.18 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 117' ' ' THR . 58.3 p -149.92 158.85 44.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.872 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 64.44 44.32 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.729 HD13 HG11 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -107.44 159.5 16.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 60.25 110.919 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.632 ' CG ' HD23 ' A' ' 140' ' ' LEU . 25.5 m-20 -55.25 177.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.835 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -93.13 -10.99 33.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.903 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.05 -17.02 66.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 64.12 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 82' ' ' LEU . 11.6 p -49.57 146.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 65.43 111.145 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.45 165.29 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 64.32 110.914 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.62 -60.03 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.888 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.91 76.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.11 111.097 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.871 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.917 HD12 HG22 ' A' ' 120' ' ' VAL . 44.7 pt -61.66 -28.98 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.34 111.11 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -60.79 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.51 110.95 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.4 -47.27 86.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 61.05 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.48 HD13 ' CG1' ' B' ' 112' ' ' VAL . 0.4 OUTLIER -51.42 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.897 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.711 ' CB ' HD11 ' A' ' 101' ' ' LEU . 11.4 m-85 -57.76 -29.36 64.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.886 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.42 70.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.092 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -30.08 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -69.98 -49.61 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 63.12 110.842 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.09 -106.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 63.23 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -129.91 143.55 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 70.33 111.158 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.711 HD11 ' CB ' ' A' ' 95' ' ' PHE . 38.6 mt -122.46 147.75 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -28.01 11.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.864 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -156.99 149.03 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 72.12 110.921 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.41 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -156.38 112.16 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 65.41 111.096 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.31 156.26 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 55.11 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.16 149.66 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 75.21 111.062 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 53.1 110.845 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.909 0.385 . . . . 41.43 110.816 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.98 -27.8 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 71.32 110.934 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.43 -11.03 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.788 -0.72 . . . . 71.3 112.504 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 80' ' ' SER . 52.3 p -140.72 141.84 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 52.35 111.119 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -121.76 166.3 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 64.32 111.124 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -127.43 131.5 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.917 HG22 HD12 ' A' ' 91' ' ' ILE . 2.3 t -141.45 125.03 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 74.2 111.081 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -95.19 119.44 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.817 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -90.1 145.33 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 62.02 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -79.87 -15.73 56.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 52.25 110.909 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.71 136.38 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 74.32 110.875 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -31.22 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.02 -64.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.04 111.085 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.68 -34.53 59.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 61.42 110.777 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.689 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -68.73 -60.17 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 52.32 111.08 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.85 HD23 HD22 ' A' ' 149' ' ' LEU . 0.9 OUTLIER -47.75 -51.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 65.44 110.943 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.4 -43.16 98.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 60.43 110.882 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.7 -61.66 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 31.22 111.128 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 77' ' ' LEU . 1.3 ptt? -59.79 -29.64 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.913 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -74.46 -30.19 61.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -17.29 26.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.975 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.5 m-30 -96.22 -43.91 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.913 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -49.64 112.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 72.1 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.24 3.24 29.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 53.32 112.486 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' B' ' 116' ' ' ALA . 52.8 t -85.02 112.75 45.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 72.25 111.135 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 129.42 17.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 54.25 112.304 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.632 HD23 ' CG ' ' A' ' 83' ' ' ASP . 6.2 tp -125.08 97.94 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.25 33.96 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 53.2 110.928 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.43 19.75 31.71 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.652 -0.785 . . . . 41.32 112.431 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -141.11 98.66 6.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 70.32 110.9 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.23 4.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.252 . . . . 64.11 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -62.96 143.08 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.863 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -132.38 108.27 9.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.859 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.64 144.53 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 74.52 111.152 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -133.98 144.42 48.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 71.31 110.862 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.85 HD22 HD23 ' A' ' 129' ' ' LEU . 1.0 OUTLIER -95.15 130.61 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 61.42 110.915 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.12 111.137 179.807 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.554 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 64.2 t90 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.819 0.342 . . . . 75.43 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.51 -22.76 50.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 53.15 111.118 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -56.86 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.88 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -50.06 -49.0 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 64.5 110.815 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.48 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.3 p -66.8 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 45.25 111.174 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -66.4 -40.33 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 50.44 110.816 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.54 -28.69 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.91 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.68 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 72.12 111.115 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.54 111.095 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.565 -0.214 . . . . 72.23 112.565 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.58 167.42 21.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 72.43 111.086 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -104.89 113.53 27.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 61.4 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.832 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -93.59 140.31 29.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 70.33 110.874 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.06 109.38 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.929 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 71.32 111.147 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.471 ' HA ' HG22 ' A' ' 117' ' ' THR . 50.5 m -146.39 158.52 43.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 61.32 110.858 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.77 44.95 4.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 72.53 110.922 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -106.95 161.68 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.895 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.81 177.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 63.35 110.866 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -96.88 5.98 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.54 110.838 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.95 -4.81 44.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 44.31 112.535 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.842 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 13.8 t -51.54 147.76 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.342 . . . . 53.13 111.146 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.34 160.21 43.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 70.41 110.893 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -56.04 10.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.902 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.35 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.14 111.153 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -54.49 45.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.872 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.85 HD12 HG22 ' A' ' 120' ' ' VAL . 32.7 pt -67.29 -31.39 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.149 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -61.65 -61.38 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 54.14 110.947 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.0 -47.62 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.23 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.53 110.891 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.743 ' HB2' HD11 ' A' ' 101' ' ' LEU . 12.6 m-85 -59.52 -27.6 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.88 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.3 71.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.42 111.078 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.73 -30.58 56.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 52.35 110.877 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -68.74 -51.05 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.823 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.56 -100.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 73.1 112.426 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -134.7 143.75 47.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 64.41 111.128 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' A' ' 95' ' ' PHE . 43.0 mt -120.23 144.65 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 73.2 110.913 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -99.7 -27.01 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 54.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 157.85 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.847 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.444 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -156.23 131.76 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 65.51 111.088 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.55 154.45 42.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 34.43 111.08 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -131.77 139.88 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 73.15 111.101 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.516 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 60.52 110.971 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.917 0.389 . . . . 43.3 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 107' ' ' ASP . 5.5 mt -73.84 -20.91 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 72.01 110.918 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.06 -15.83 6.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.671 -0.776 . . . . 71.43 112.56 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 80' ' ' SER . 35.4 p -137.14 141.91 42.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 64.44 111.16 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.569 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -126.82 168.12 14.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 70.23 111.073 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.29 125.64 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 44.11 110.867 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.85 HG22 HD12 ' A' ' 91' ' ' ILE . 3.1 t -128.13 131.2 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 62.11 111.102 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -96.59 114.18 25.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.54 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.3 m-85 -86.99 140.82 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 65.52 110.91 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.92 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 63.22 110.833 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 146.07 49.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -74.68 -35.4 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 73.53 110.824 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.98 -63.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 75.52 111.149 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.11 -28.08 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 62.45 110.912 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.832 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.59 -45.68 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.2 tm? -68.62 -44.51 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.01 110.927 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -64.53 -45.27 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.913 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.86 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.181 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -34.28 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.859 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -78.12 -27.68 48.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 72.11 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -10.97 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.2 110.94 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.87 -42.42 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.915 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -50.94 112.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 74.32 110.93 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.68 2.87 34.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 63.13 112.515 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' B' ' 116' ' ' ALA . 54.1 t -85.14 112.81 46.24 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 121.597 0.713 . . . . 62.43 111.115 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 129.91 18.38 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.737 2.291 . . . . 52.14 112.276 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.491 HD13 HG22 ' B' ' 112' ' ' VAL . 9.8 tp -125.4 97.92 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.846 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.3 t70 51.75 35.33 14.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.822 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.21 20.13 33.81 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 34.31 112.498 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -141.21 95.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.571 0.701 . . . . 62.35 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 116.12 4.4 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.684 2.256 . . . . 75.05 112.4 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.8 mtp -64.37 149.01 49.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 75.3 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -138.44 107.53 6.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.89 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 147' ' ' ILE . 5.2 mp -106.55 132.52 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 73.02 111.169 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.87 115.94 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.755 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.5 tt -76.89 127.14 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.933 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 71.41 111.09 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.842 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 66.7 t90 . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.771 0.32 . . . . 74.43 110.936 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.11 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 65.14 111.086 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -54.22 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 54.22 110.898 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -52.03 -38.82 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.812 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 108' ' ' TRP . 72.3 t -70.18 -56.1 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.12 111.187 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -54.0 -32.92 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 64.11 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.79 -41.65 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.24 111.157 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.591 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.09 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.512 -0.235 . . . . 54.44 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.07 177.02 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 51.04 111.016 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -108.94 113.99 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.906 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 149' ' ' LEU . 4.3 mm? -98.44 121.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.92 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.92 114.56 28.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 55.53 110.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.448 ' CG1' HD23 ' A' ' 82' ' ' LEU . 45.6 t -94.46 137.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 74.01 111.163 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 117' ' ' THR . 54.6 p -141.14 158.2 44.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 60.22 110.825 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.72 49.5 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.21 110.894 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -111.89 160.73 17.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.961 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.558 ' CG ' HD23 ' A' ' 140' ' ' LEU . 66.6 m-20 -53.43 174.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.893 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -92.39 8.59 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.918 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.97 -13.9 18.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.756 -0.735 . . . . 75.03 112.517 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.766 HG11 HD13 ' A' ' 82' ' ' LEU . 7.7 p -50.33 148.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 73.55 111.103 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.71 166.78 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.875 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -58.76 5.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.921 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.71 77.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.02 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.0 -61.37 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.49 HD12 ' HB ' ' A' ' 120' ' ' VAL . 38.7 pt -59.98 -30.58 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 63.12 111.126 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.43 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -59.8 -61.13 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 60.34 110.926 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.61 -47.84 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.815 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.2 OUTLIER -51.2 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.968 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.733 ' HB2' HD11 ' A' ' 101' ' ' LEU . 30.7 m-85 -58.41 -29.68 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 74.34 110.881 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.96 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 70.1 111.076 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -54.42 -31.42 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.03 110.939 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -67.15 -51.48 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 62.5 110.887 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.54 -100.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.716 . . . . 72.34 112.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.5 m -143.05 132.64 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 63.22 111.143 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 95' ' ' PHE . 82.3 mt -108.47 158.21 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 63.23 110.947 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -110.19 -35.34 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 151.1 32.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.99 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -155.7 128.59 8.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 73.51 111.109 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.18 157.2 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 65.44 111.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.52 152.69 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.13 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 61.35 110.819 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.873 0.368 . . . . 75.54 110.814 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.2 -25.6 59.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.958 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 131.91 -8.16 5.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 71.51 112.466 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 80' ' ' SER . 59.4 p -143.57 142.08 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 73.34 111.165 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -117.09 169.72 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 53.31 111.081 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -139.86 108.47 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 72.22 110.88 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -124.4 131.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 70.42 111.19 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.56 119.24 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.836 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.98 151.11 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 72.34 110.886 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.24 -19.03 51.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.24 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 145.07 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 72.43 110.865 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.465 HH21 HD23 ' A' ' 129' ' ' LEU . 11.4 tpt180 -70.12 -36.78 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.849 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.87 -64.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 70.11 111.092 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.94 -31.64 63.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.864 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.671 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -63.12 -41.67 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.149 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.465 HD23 HH21 ' A' ' 125' ' ' ARG . 2.3 tm? -71.36 -48.37 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.924 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -62.88 -42.38 99.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 51.42 110.824 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.46 -61.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 71.35 111.092 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -32.53 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 43.44 110.876 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -80.56 -28.01 37.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.93 -10.18 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 61.55 110.836 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' A' ' 94' ' ' LEU . 3.3 m-30 -108.88 -43.36 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.948 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -49.56 112.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 65.51 110.925 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 106.73 4.5 36.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 70.11 112.475 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' B' ' 116' ' ' ALA . 51.6 t -86.26 112.33 45.19 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.676 0.75 . . . . 70.44 111.088 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 129.55 17.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.686 2.257 . . . . 74.22 112.365 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.558 HD23 ' CG ' ' A' ' 83' ' ' ASP . 6.8 tp -124.5 97.98 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.52 110.898 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 52.41 33.72 13.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.854 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.02 19.82 29.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 53.44 112.49 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.15 97.94 6.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 75.4 110.93 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 74.14 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.29 144.04 56.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 74.33 110.835 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -133.82 111.33 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 63.44 110.841 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.562 ' CG2' HD12 ' A' ' 77' ' ' LEU . 4.8 mp -105.73 137.42 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 70.41 111.084 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.49 115.78 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.85 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.684 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.3 tm? -75.57 114.42 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.93 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.56 ' N ' HD22 ' A' ' 149' ' ' LEU . 97.5 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 71.11 111.141 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.464 ' CH2' HG23 ' A' ' 86' ' ' VAL . 61.9 t90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.826 0.345 . . . . 75.2 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -81.94 -22.69 36.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 75.02 111.097 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.68 -57.16 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 54.12 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.46 -49.5 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.856 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.5 p -67.86 -36.45 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 71.44 111.14 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -58.35 -41.95 85.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.937 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.2 -41.94 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 55.5 110.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.8 73.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 71.34 111.113 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 31.41 111.121 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.519 -0.232 . . . . 65.55 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.58 169.35 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 72.13 111.106 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -110.06 113.26 25.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.921 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.826 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.9 mm? -92.87 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 74.41 110.945 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 tp -120.69 110.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.939 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.0 t -90.54 144.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 54.21 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.474 ' CB ' HG22 ' A' ' 117' ' ' THR . 87.4 p -149.02 156.6 42.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.791 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 64.51 47.04 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 72.32 110.959 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.596 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -107.37 163.48 13.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 53.34 110.886 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.549 ' CG ' HD23 ' A' ' 140' ' ' LEU . 80.9 m-20 -54.2 176.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.837 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -96.11 6.4 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.78 -1.06 36.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 75.12 112.495 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.83 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 15.7 t -53.89 147.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 74.1 111.14 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.36 158.9 44.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 62.22 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -57.47 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 53.13 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.61 78.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 53.42 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -56.81 17.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.894 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.882 HD12 HG22 ' A' ' 120' ' ' VAL . 43.2 pt -66.18 -29.83 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.33 111.133 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.66 -60.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.923 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.24 -47.1 87.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.922 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.432 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.3 OUTLIER -50.6 -66.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.936 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.69 ' CB ' HD11 ' A' ' 101' ' ' LEU . 11.2 m-85 -59.26 -29.64 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.83 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.78 71.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 54.42 111.159 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.82 -32.18 60.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -67.17 -50.42 61.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.887 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.86 -103.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 74.43 112.486 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -130.81 146.93 52.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 75.41 111.18 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 95' ' ' PHE . 42.2 mt -125.93 142.56 51.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 72.02 110.95 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.46 -28.42 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.87 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.539 ' NZ ' ' HB2' ' A' ' 105' ' ' ALA . 16.9 tptp -163.39 155.45 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 72.03 110.937 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.482 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -154.81 115.65 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 62.02 111.134 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.539 ' HB2' ' NZ ' ' A' ' 103' ' ' LYS . . . -133.57 157.57 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 63.22 111.049 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.7 p -131.62 145.61 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.141 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 65.44 110.872 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.914 0.387 . . . . 53.24 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.4 -30.12 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 70.32 110.938 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.39 -15.6 3.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.679 -0.772 . . . . 22.02 112.43 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.474 HG22 ' CB ' ' A' ' 80' ' ' SER . 69.4 p -139.88 141.4 36.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 72.04 111.139 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.429 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -120.51 167.9 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 64.22 111.146 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -132.39 123.98 27.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 64.21 110.875 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.882 HG22 HD12 ' A' ' 91' ' ' ILE . 2.3 t -133.03 127.5 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 74.22 111.134 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 8.9 m80 -95.75 118.58 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 72.25 110.825 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.611 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.0 m-85 -87.7 136.46 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.832 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.15 -15.6 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 74.15 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.05 145.12 35.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.856 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -31.85 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.879 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.19 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.45 111.024 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.21 -24.89 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 75.31 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.826 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -69.62 -50.27 46.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.03 111.076 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.5 tm? -67.24 -42.17 84.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 70.22 110.927 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -65.0 -44.8 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 75.05 110.899 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.98 -61.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 65.21 111.106 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -34.48 50.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 73.51 110.879 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.96 -27.8 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 73.51 110.943 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -10.77 45.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 70.34 110.947 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.52 -43.87 4.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.931 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -49.9 112.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.889 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.81 3.49 34.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 63.1 112.477 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.8 t -86.14 112.63 47.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.489 0.662 . . . . 73.43 111.13 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 129.68 18.03 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.65 2.234 . . . . 74.42 112.384 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 83' ' ' ASP . 7.9 tp -124.06 97.69 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 64.24 110.887 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 51.72 34.29 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 71.43 110.902 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.88 19.7 30.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 71.13 112.512 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.19 96.17 7.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.681 0.753 . . . . 74.41 110.876 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.251 . . . . 73.22 112.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mtp -65.14 145.98 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.878 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -134.99 110.1 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.912 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -107.45 134.97 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.12 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 115.69 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 51.22 110.876 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.763 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.4 tt -76.67 126.78 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.914 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 55.51 111.157 179.836 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.83 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 56.8 t90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.771 0.32 . . . . 73.1 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.26 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 72.04 111.103 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.96 -56.97 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.805 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -49.49 -49.58 45.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.425 HG11 HD13 ' A' ' 94' ' ' LEU . 6.2 p -67.77 -36.92 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 52.44 111.122 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -58.22 -41.61 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.834 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -76.49 -41.75 45.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.49 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 64.43 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.164 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.416 -0.273 . . . . 43.45 112.416 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.56 169.89 18.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 71.2 111.091 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -110.33 114.05 27.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.852 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.791 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -94.51 140.6 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.934 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 tp -120.79 110.82 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.02 110.964 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -90.55 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.13 111.157 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.497 ' HA ' HG22 ' A' ' 117' ' ' THR . 21.6 m -145.75 154.99 42.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.812 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 t30 65.21 44.78 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 72.1 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.604 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -107.49 156.75 18.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.909 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.499 ' O ' HG12 ' A' ' 86' ' ' VAL . 5.8 t70 -57.76 175.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 62.45 110.843 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.16 -26.99 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.03 110.894 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.76 65.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 52.53 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.604 HG11 HD13 ' A' ' 82' ' ' LEU . 7.4 p -51.24 145.6 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 71.43 111.137 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -149.98 167.09 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.15 110.833 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -60.06 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 62.35 110.916 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.99 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.51 111.07 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -58.98 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 55.35 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.034 HD12 HG22 ' A' ' 120' ' ' VAL . 46.9 pt -62.37 -29.0 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 50.11 111.179 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -60.68 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 71.11 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.35 -47.29 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.58 -65.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 52.33 110.916 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.726 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.3 m-85 -58.83 -27.95 65.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.932 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.65 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 72.42 111.129 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -53.53 -30.39 41.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 61.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -69.02 -51.77 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 61.4 110.89 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.21 -109.39 0.27 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.728 -0.749 . . . . 72.12 112.49 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.2 m -132.05 132.4 43.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 72.22 111.092 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 95' ' ' PHE . 51.6 mt -111.77 152.39 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.926 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -107.96 -32.4 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 72.11 110.9 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 6.1 tptt -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.885 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.571 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -155.99 120.77 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 73.24 111.12 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.75 45.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 70.3 111.028 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.59 140.7 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 70.44 111.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 64.55 110.806 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.889 0.376 . . . . 63.3 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.2 mt -55.18 -26.71 40.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 74.04 110.893 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 -6.12 7.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 64.23 112.464 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 80' ' ' SER . 43.0 p -140.05 142.02 36.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 30.43 111.191 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -121.97 164.15 18.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 42.25 111.127 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -130.02 121.51 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 62.04 110.808 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 1.034 HG22 HD12 ' A' ' 91' ' ' ILE . 2.6 t -130.99 125.22 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.145 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 4.9 m80 -94.94 113.98 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.856 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.597 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.5 m-85 -82.6 149.1 27.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.92 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -78.01 -15.59 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 61.51 110.971 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 147.42 39.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 74.52 110.898 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -74.67 -35.19 62.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 72.31 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.65 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 53.12 111.173 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -53.45 -28.39 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.838 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.791 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.96 -44.03 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 70.31 111.086 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.1 tm? -68.4 -45.64 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.22 110.931 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -64.7 -45.54 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.935 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.96 -61.64 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 34.43 111.101 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.67 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 74.2 110.821 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -78.19 -27.34 47.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.84 -10.87 43.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 72.24 110.948 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -108.04 -44.15 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.915 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -49.99 112.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 75.01 110.894 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.28 3.63 35.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 63.31 112.518 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.3 t -86.31 112.48 46.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 72.3 111.03 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.19 20.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 44.13 112.386 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.532 HD13 HG22 ' B' ' 112' ' ' VAL . 9.4 tp -127.18 97.73 5.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 71.55 110.91 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.5 36.52 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.854 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.52 20.23 38.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.34 112.535 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 4.6 mmp_? -141.11 94.84 7.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 71.52 110.894 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 143' ' ' ARG . 53.8 Cg_endo -69.66 116.34 4.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.31 112.389 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.12 145.17 56.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 75.32 110.878 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -135.45 111.55 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.41 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 77' ' ' LEU . 4.8 mp -105.83 142.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 75.15 111.138 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.85 118.46 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.944 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.694 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.1 tm? -79.98 116.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 64.22 110.932 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.612 ' N ' HD22 ' A' ' 149' ' ' LEU . 45.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 65.45 111.109 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.593 ' O ' HG23 ' B' ' 112' ' ' VAL . 66.8 t90 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.73 0.3 . . . . 74.24 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -76.68 -33.35 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 34.44 111.077 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.39 -54.66 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.51 110.818 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -51.39 -39.1 56.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.904 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 108' ' ' TRP . 62.3 t -69.67 -46.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.112 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.591 ' HG3' HD12 ' A' ' 94' ' ' LEU . 58.6 mtm180 -58.17 -34.81 70.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 65.35 110.964 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -76.4 -47.27 23.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.936 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 71.1 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 42.33 111.123 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.245 . . . . 72.51 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.63 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 52.5 111.054 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -111.47 113.61 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.2 110.912 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.797 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -96.99 122.05 39.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 63.42 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.92 116.72 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.44 110.867 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.439 ' CG1' HD23 ' A' ' 82' ' ' LEU . 44.7 t -95.63 137.15 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 53.21 111.159 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.707 ' HA ' HG22 ' A' ' 117' ' ' THR . 93.7 p -140.9 155.93 46.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 65.21 110.837 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 64.12 49.44 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 71.12 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.713 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -110.38 159.56 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.933 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -52.03 171.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.855 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -90.36 7.33 39.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.941 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.63 -14.27 22.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.655 -0.783 . . . . 61.4 112.502 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 82' ' ' LEU . 8.3 p -49.72 147.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 74.15 111.153 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -149.67 164.62 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 63.32 110.824 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -59.23 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 61.21 110.873 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.96 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.52 111.074 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 61.23 110.857 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.7 pt -61.43 -32.31 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.04 111.088 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.453 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -57.69 -60.99 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.52 110.867 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.66 -47.82 83.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.832 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.521 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.68 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 65.43 110.924 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.718 ' HB2' HD11 ' A' ' 101' ' ' LEU . 29.4 m-85 -59.4 -28.07 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 64.13 110.9 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -64.13 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.193 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -30.55 43.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.928 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -67.34 -52.4 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.05 110.838 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.48 -108.86 0.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.834 -0.698 . . . . 65.21 112.519 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -133.21 124.4 27.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 54.12 111.115 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 95' ' ' PHE . 52.6 mt -99.89 158.29 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.949 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -113.01 -36.23 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.858 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 143.5 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.932 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.453 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -149.71 121.39 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 70.1 111.112 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.14 44.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 72.3 111.123 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -125.26 151.61 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.21 111.119 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.536 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.858 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.888 0.375 . . . . 54.33 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 107' ' ' ASP . 8.0 mt -72.09 -19.98 61.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 53.02 110.935 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.2 -13.52 8.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 52.32 112.553 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 80' ' ' SER . 81.5 p -139.68 141.82 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 53.35 111.072 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -115.46 169.25 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.147 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.08 107.91 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.826 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.655 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -126.34 127.1 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 54.55 111.146 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -95.54 122.87 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.572 ' CD1' HD23 ' A' ' 77' ' ' LEU . 4.8 m-85 -81.61 149.7 28.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.908 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -75.62 -18.51 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.919 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.22 144.05 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.846 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -33.51 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.2 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.19 -64.22 0.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 61.25 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.49 -26.2 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 70.43 110.837 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.797 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.88 -49.11 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 73.54 111.08 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.5 tm? -67.47 -42.06 83.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 71.33 110.924 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -65.78 -47.33 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.43 110.882 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.92 -61.1 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 72.13 111.082 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -77.42 -26.85 52.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.34 -12.71 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 72.51 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.7 m-30 -105.92 -44.02 4.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.902 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -50.0 111.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 64.43 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.44 7.31 32.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 64.13 112.521 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 135' ' ' TYR . 55.9 t -89.69 110.95 43.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 64.11 111.121 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.635 2.223 . . . . 72.2 112.337 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.461 HD13 HG22 ' B' ' 112' ' ' VAL . 6.9 tp -127.01 98.12 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.948 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.45 35.1 19.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 65.42 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.31 21.55 34.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 75.33 112.476 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.14 92.54 8.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.516 0.674 . . . . 73.22 110.793 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.91 4.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 44.21 112.345 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.418 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.9 mtp -66.32 145.23 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.02 110.927 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -133.96 109.16 8.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 71.23 110.924 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.418 HD11 ' HE3' ' A' ' 145' ' ' MET . 5.2 mp -106.03 135.2 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 75.5 111.133 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -122.85 115.6 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.966 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.734 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.1 tt -72.41 126.89 30.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 61.01 110.892 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.12 179.825 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.662 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 49.0 t90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.781 0.324 . . . . 74.24 110.929 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -65.58 -23.02 66.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 63.52 111.123 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.36 -48.55 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 64.51 110.845 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -51.85 -49.71 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.927 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.461 HG22 HD13 ' A' ' 140' ' ' LEU . 13.8 t -65.11 -50.25 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 61.05 111.173 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -51.65 -42.64 62.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 71.1 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.65 -51.3 28.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 51.23 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.62 -39.46 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.33 111.138 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 54.1 111.081 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.473 -0.251 . . . . 61.25 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.37 171.66 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 63.34 111.124 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -111.77 113.6 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 72.51 110.912 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 149' ' ' LEU . 3.9 mm? -95.23 138.74 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.23 110.859 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.8 112.71 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.6 t -91.41 142.37 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 73.45 111.058 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.404 ' HA ' HG22 ' A' ' 117' ' ' THR . 83.2 p -146.0 156.72 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 73.55 110.866 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 64.11 46.41 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 61.03 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.679 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.12 159.77 16.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 70.3 110.92 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.23 177.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.883 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -92.71 -10.87 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.41 110.845 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.1 -16.51 67.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 61.24 112.493 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.679 HG11 HD13 ' A' ' 82' ' ' LEU . 11.5 p -50.36 145.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 72.25 111.11 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -149.57 166.17 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 55.01 110.778 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -60.6 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 72.4 110.833 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.75 75.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.2 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.57 -60.77 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.41 110.857 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.024 HD12 HG22 ' A' ' 120' ' ' VAL . 43.9 pt -61.25 -29.05 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 43.42 111.135 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -60.89 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 70.22 110.937 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -61.42 -46.96 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 54.52 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.406 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.27 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 70.34 110.893 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.8 m-85 -59.13 -28.02 66.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.35 71.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 71.42 111.074 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -53.21 -30.96 40.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.3 110.854 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -69.44 -48.67 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 62.34 110.879 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.66 -118.72 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 71.14 112.488 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -127.8 115.4 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 74.15 111.154 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 78.6 mt -89.39 157.49 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 64.03 110.914 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.65 -34.05 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -153.31 147.63 25.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.844 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.582 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -155.87 124.0 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 34.34 111.081 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.49 151.99 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.079 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.64 152.18 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.35 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.808 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.899 0.38 . . . . 74.53 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -55.69 -27.63 51.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 71.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.73 -15.96 4.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 72.51 112.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 80' ' ' SER . 45.2 p -137.12 141.85 42.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 44.42 111.124 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.26 164.4 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 54.34 111.096 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -128.77 122.3 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 60.44 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 1.024 HG22 HD12 ' A' ' 91' ' ' ILE . 2.4 t -131.5 123.49 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.14 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 6.2 m80 -94.91 114.56 26.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.14 110.787 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.632 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.1 m-85 -82.17 150.05 27.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.827 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.53 -12.58 56.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 75.33 110.881 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.11 145.15 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.868 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.535 ' CD ' HD21 ' A' ' 149' ' ' LEU . 18.9 tpp85 -74.96 -43.78 52.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 72.45 110.894 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.39 -62.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.51 111.087 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -29.46 70.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 44.23 110.837 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -63.56 -51.72 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.25 111.109 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.0 tm? -68.59 -39.85 80.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 64.03 110.914 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.49 -47.06 77.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.877 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.45 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.52 111.121 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -34.74 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 41.33 110.878 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -78.02 -27.48 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.86 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -88.96 -11.0 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 52.42 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -107.63 -43.87 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 61.43 110.91 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.85 112.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 75.31 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.11 0.92 29.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 70.41 112.521 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 135' ' ' TYR . 70.7 t -84.02 112.84 43.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 65.41 111.151 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 131.87 22.04 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 73.22 112.372 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 tp -128.72 97.86 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 51.85 36.92 19.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.45 110.848 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.63 20.17 41.64 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 75.23 112.517 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -141.02 94.34 7.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 74.22 110.939 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.07 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.801 2.334 . . . . 73.33 112.357 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.2 mtp -63.07 144.51 56.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 61.13 110.884 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.25 109.03 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.42 110.966 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.8 135.28 44.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 75.14 111.127 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.56 115.49 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.33 110.999 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.732 ' HA ' HD13 ' A' ' 77' ' ' LEU . 15.3 tp -76.41 126.83 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 60.12 110.888 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 62.15 111.107 179.84 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.592 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.3 t90 . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.787 0.327 . . . . 72.34 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -74.42 -28.97 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.13 111.037 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.98 -57.03 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.876 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -51.54 -41.48 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 108' ' ' TRP . 61.9 t -64.45 -50.55 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.45 111.093 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.7 -38.24 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.66 -43.1 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.13 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.24 111.038 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.13 111.094 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.491 -0.244 . . . . 32.21 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.84 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 75.55 111.088 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -99.26 112.59 24.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.954 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.649 ' CD1' ' HB1' ' A' ' 128' ' ' ALA . 4.2 mp -92.37 133.66 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.936 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -109.86 117.98 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.975 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.24 143.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 63.22 111.177 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.423 ' HA ' HG22 ' A' ' 117' ' ' THR . 86.2 p -146.44 156.93 43.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 65.22 110.873 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.05 48.1 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.35 110.883 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.598 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -108.85 162.74 13.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.94 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.26 176.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.841 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -95.98 7.31 46.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 65.31 110.924 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.23 -4.29 38.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 61.45 112.481 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.838 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 14.2 t -51.6 147.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 73.42 111.119 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.64 160.3 43.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 60.34 110.886 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.12 -56.58 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.65 77.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 74.11 111.102 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -55.06 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 70.2 110.85 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.872 HD12 HG22 ' A' ' 120' ' ' VAL . 35.9 pt -66.73 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.166 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 -60.68 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.12 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.81 -47.7 85.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 71.34 110.847 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.3 OUTLIER -51.47 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 64.33 110.927 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 12.3 m-85 -58.1 -29.17 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.846 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.066 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.49 -30.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 63.14 110.864 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -70.73 -50.77 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.815 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.17 -114.44 0.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 44.23 112.5 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.3 m -126.36 130.1 50.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 54.32 111.094 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 44.5 mt -106.16 153.76 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.881 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.37 -26.01 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.86 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 161.42 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 73.33 110.963 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -156.31 132.19 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 64.23 111.051 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.94 155.21 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 54.42 111.125 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.2 p -132.65 147.51 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 71.42 111.117 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.913 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.959 0.409 . . . . 71.52 110.82 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -30.66 54.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.96 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.02 -15.52 3.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 73.15 112.574 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 80' ' ' SER . 38.0 p -142.1 141.42 32.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 74.13 111.135 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.593 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -122.83 169.61 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 64.34 111.099 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -133.96 122.85 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.847 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.872 HG22 HD12 ' A' ' 91' ' ' ILE . 2.5 t -123.79 140.95 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -102.96 113.57 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 65.14 110.799 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -89.39 137.13 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.906 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -73.34 -15.68 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.863 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 142.72 33.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.827 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -32.62 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 72.43 110.913 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.71 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.33 111.121 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.53 -34.45 50.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.649 ' HB1' ' CD1' ' A' ' 77' ' ' LEU . . . -71.22 -40.2 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.067 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -62.63 -49.24 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.954 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.81 -38.23 79.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.879 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.85 -56.01 14.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 64.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -34.05 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 44.34 110.894 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -76.12 -28.55 57.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.891 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -16.89 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.51 110.976 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.4 m-30 -99.16 -43.64 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.878 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.74 112.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 72.34 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 1.18 31.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 44.41 112.528 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 135' ' ' TYR . 59.5 t -83.94 112.67 42.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 74.32 111.087 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.95 20.22 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 74.11 112.278 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -127.36 97.85 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.41 110.87 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.06 35.29 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.896 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 92.01 20.09 37.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.812 -0.708 . . . . 60.41 112.502 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.16 95.56 7.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.652 0.739 . . . . 75.4 110.875 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.08 4.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 75.41 112.36 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.9 mtp -63.96 146.92 53.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.903 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -135.92 110.38 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.85 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.413 HD13 ' HB3' ' A' ' 135' ' ' TYR . 5.2 mp -109.32 139.73 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 72.15 111.117 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.43 115.69 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -68.25 136.45 53.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 70.45 110.902 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 64.31 111.146 179.854 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.838 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 58.3 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.784 0.326 . . . . 73.24 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.61 -22.76 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 65.04 111.132 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -56.62 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.863 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -49.64 -49.53 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.3 p -68.1 -36.2 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.107 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -59.11 -40.75 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 60.41 110.835 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.43 -41.56 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.19 -39.93 76.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 54.41 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 64.31 111.12 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.519 -0.232 . . . . 42.1 112.519 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.65 163.47 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 75.31 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -97.76 114.14 26.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 64.31 110.831 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.707 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.2 mm? -102.18 128.87 48.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.918 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.23 129.0 56.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.871 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 t -104.14 143.17 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 72.3 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.492 ' HA ' HG22 ' A' ' 117' ' ' THR . 81.3 p -142.28 157.21 45.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 43.52 110.854 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t30 65.22 48.07 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 73.2 110.923 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.62 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -110.62 157.5 19.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.12 110.909 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.547 ' CG ' HD23 ' A' ' 140' ' ' LEU . 35.8 m-20 -55.56 177.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.866 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -93.1 -3.35 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.832 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.46 -17.72 48.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.748 -0.739 . . . . 74.12 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.62 HG11 HD13 ' A' ' 82' ' ' LEU . 7.2 p -50.32 145.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 74.2 111.134 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -146.38 166.01 27.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 72.34 110.859 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -59.39 3.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.86 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.87 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 73.13 111.11 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -59.36 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.884 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.053 HD12 HG22 ' A' ' 120' ' ' VAL . 39.8 pt -62.68 -29.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.43 111.118 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -61.05 -60.96 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.869 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.84 -46.92 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.608 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -50.96 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 65.33 110.913 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.71 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.6 m-85 -58.55 -29.29 66.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.41 111.107 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.9 -30.21 45.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 73.01 110.842 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -69.17 -51.1 41.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.907 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.79 -101.68 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 61.21 112.502 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -135.98 143.09 44.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 64.4 111.136 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.71 HD11 ' CB ' ' A' ' 95' ' ' PHE . 44.9 mt -122.22 145.85 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.88 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -25.8 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 63.23 110.934 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -167.71 155.63 8.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 74.33 110.905 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.624 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -156.25 121.64 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 44.04 111.127 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.21 157.37 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 72.5 111.167 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.32 152.33 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 64.24 111.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.845 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.961 0.41 . . . . 73.22 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' A' ' 107' ' ' ASP . 16.4 mt -64.38 -25.77 68.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.46 -14.13 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 73.52 112.474 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 80' ' ' SER . 67.7 p -139.25 141.77 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 44.24 111.142 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -118.24 165.72 13.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 61.2 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.83 123.72 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 43.21 110.828 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 1.053 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -131.96 126.74 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 44.43 111.124 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -95.66 114.92 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 53.11 110.853 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.86 148.0 26.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.896 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -83.74 -18.19 38.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.88 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 137.75 38.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 61.14 110.842 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -38.1 77.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 63.44 110.886 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 64.34 111.177 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.37 -33.02 63.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 63.25 110.836 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.707 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.68 -45.42 75.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 40.03 111.111 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -63.08 -48.21 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.904 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -63.41 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.885 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.45 -62.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 61.13 111.091 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -31.24 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 73.53 110.832 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -80.08 -28.5 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 73.24 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -10.87 44.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 75.12 110.906 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.01 -42.91 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.873 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -50.8 112.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.41 110.919 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.57 1.73 32.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 74.22 112.52 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 135' ' ' TYR . 61.3 t -84.51 112.8 44.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 74.22 111.121 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.42 21.2 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 73.41 112.356 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.601 ' CD1' HG22 ' B' ' 112' ' ' VAL . 8.2 tp -127.54 97.74 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.943 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.62 36.36 17.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.916 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.79 39.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 72.51 112.469 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 95.41 7.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 73.35 110.888 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 54.14 112.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.1 mtp -64.77 145.27 56.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -135.73 107.85 7.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.533 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.1 mp -105.95 141.71 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.099 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 131.49 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.933 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 77' ' ' LEU . 19.0 tp -88.16 123.84 33.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 71.55 110.845 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.157 179.794 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.568 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 67.5 t90 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.798 0.332 . . . . 71.54 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -80.58 -23.94 39.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.1 111.096 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.71 -60.52 2.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.894 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -50.87 -37.82 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.848 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.601 HG22 ' CD1' ' A' ' 140' ' ' LEU . 99.9 t -69.25 -48.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.08 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.608 ' HG3' HD12 ' A' ' 94' ' ' LEU . 38.0 mtm180 -57.37 -36.72 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.873 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -74.52 -49.74 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.23 110.9 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.2 -41.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 61.01 111.052 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.476 -0.25 . . . . 71.45 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.89 174.06 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 62.31 111.174 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HE2' HG11 ' A' ' 150' ' ' VAL . 37.0 ttpt -110.68 112.86 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.22 110.851 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.839 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm? -95.32 122.49 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.842 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.53 119.93 39.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 62.44 110.908 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 82' ' ' LEU . 47.0 t -100.22 141.14 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.098 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.538 ' HA ' HG22 ' A' ' 117' ' ' THR . 29.7 m -146.72 157.45 43.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 61.33 110.884 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 t30 64.3 49.13 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 73.05 110.925 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -111.46 166.38 11.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.896 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.98 177.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 62.13 110.876 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -97.35 8.24 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.841 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.73 -3.37 34.6 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.743 -0.741 . . . . 63.24 112.378 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.843 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 13.0 t -53.61 148.57 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 74.04 111.153 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.22 160.6 43.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.794 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.86 -54.24 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.23 110.869 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.89 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.133 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.72 -53.74 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.864 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.417 HG13 ' HB1' ' A' ' 104' ' ' ALA . 21.8 pt -67.35 -35.95 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.23 111.154 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.405 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -57.44 -61.07 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.919 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.51 -47.85 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.55 -65.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.861 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CD2' HG11 ' A' ' 120' ' ' VAL . 24.7 m-85 -59.35 -28.52 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 71.25 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -63.55 -31.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 43.15 111.02 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -30.74 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 72.35 110.902 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -66.27 -52.71 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.839 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.73 -97.72 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 53.34 112.543 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -140.64 139.41 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 65.14 111.24 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.68 HD11 ' CB ' ' A' ' 95' ' ' PHE . 55.3 mt -119.21 154.99 32.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 52.32 110.893 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -36.5 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.45 110.874 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -149.4 147.51 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 75.24 110.888 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.417 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -153.88 123.92 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.21 111.11 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.51 157.39 43.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 41.51 111.187 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 p -121.73 144.54 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.105 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 60.22 110.863 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.88 0.371 . . . . 62.42 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -17.85 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 54.24 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.89 -10.27 12.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 71.42 112.453 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 80' ' ' SER . 59.5 p -142.24 141.26 32.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 73.22 111.125 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -114.56 169.84 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.31 111.073 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -139.64 108.56 6.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.13 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.706 HG11 ' CD2' ' A' ' 95' ' ' PHE . 1.2 p -127.8 127.8 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 61.04 111.118 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -96.08 123.37 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 70.32 110.858 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.565 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.8 m-85 -83.39 151.97 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.52 110.898 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.87 -15.67 50.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.875 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.83 136.56 35.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.873 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -32.64 73.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.15 110.829 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 71.54 111.062 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.29 -23.37 48.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 62.33 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.839 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.0 -59.51 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 70.14 111.106 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.3 tm? -58.54 -40.22 82.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 60.13 110.971 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.96 -48.81 72.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 70.33 110.941 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.094 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.411 ' SD ' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -52.92 -34.96 57.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.15 110.853 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -26.02 52.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 63.54 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.99 -14.05 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 63.02 110.912 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.517 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.0 m-30 -105.48 -42.49 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 65.35 110.913 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -50.41 112.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 64.2 110.894 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.09 29.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 75.51 112.462 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' B' ' 116' ' ' ALA . 68.1 t -84.53 112.91 45.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 74.33 111.157 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.85 18.31 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.6 2.2 . . . . 62.51 112.367 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -125.37 97.99 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 t70 52.56 34.73 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.863 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.58 19.74 34.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 60.41 112.529 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.14 97.12 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 65.41 110.85 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 73.12 112.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.563 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.2 mtp -63.15 142.94 58.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.932 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -132.37 107.68 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 61.23 110.905 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.563 HD11 ' HE3' ' A' ' 145' ' ' MET . 3.7 mp -112.36 143.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 63.2 111.082 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.27 144.08 48.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 63.11 110.933 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.753 ' HA ' HD13 ' A' ' 77' ' ' LEU . 8.8 tt -91.1 128.27 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.866 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.432 HG11 ' HE2' ' A' ' 76' ' ' LYS . 58.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 54.12 111.117 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' TRP . . . . . 0.843 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 68.0 t90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.737 0.304 . . . . 72.32 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -78.11 -26.65 48.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 74.13 111.078 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -69.73 -48.41 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.807 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -59.18 -39.79 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.806 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 108' ' ' TRP . 61.6 t -68.09 -60.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 43.14 111.087 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -55.09 -29.65 58.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 54.31 110.847 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.29 -38.18 43.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 71.5 110.918 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.57 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 50.43 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 72.23 111.111 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.2 mtt . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.791 0.329 . . . . 65.45 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 63.02 49.46 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 65.3 111.121 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -94.48 171.24 8.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.832 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -169.13 156.88 7.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 70.42 110.849 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 t -143.53 159.34 42.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 72.43 111.139 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.73 -172.07 21.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 64.34 112.415 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.59 144.17 6.5 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.642 -0.789 . . . . 70.45 112.439 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -163.46 118.23 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 64.34 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -84.48 176.85 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.902 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -137.16 178.38 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 44.11 110.89 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.11 -171.39 37.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 73.13 112.501 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -82.41 122.98 28.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 74.44 110.857 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.98 160.54 82.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 55.51 110.91 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 -17.1 38.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 64.12 112.355 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -94.41 18.93 10.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.826 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -106.8 34.4 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.905 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -88.98 178.74 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.91 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -118.01 165.42 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 72.03 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -115.68 36.32 4.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.816 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -87.07 -25.54 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 72.22 110.917 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -86.95 10.81 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 62.34 110.905 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -52.2 162.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -130.26 143.71 50.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 73.32 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -110.18 -53.67 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 73.03 110.855 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.69 79.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.802 -0.714 . . . . 44.22 112.471 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.4 t -163.38 134.06 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 64.1 110.869 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.85 130.74 3.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.775 -0.726 . . . . 65.53 112.463 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.33 149.12 5.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 70.44 112.483 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.21 -41.25 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 52.33 112.489 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -102.28 -178.52 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 54.4 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.85 -94.09 2.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 63.03 112.476 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.733 ' CG1' HG22 ' A' ' 73' ' ' THR . 5.9 t -140.26 155.45 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 43.32 111.151 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -98.85 27.7 4.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.481 . . . . 72.52 110.898 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.733 HG22 ' CG1' ' A' ' 71' ' ' VAL . 13.1 t -140.44 39.44 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 63.4 111.152 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.79 150.38 5.2 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.736 -0.745 . . . . 54.33 112.437 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.3 161.97 30.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 61.12 111.093 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -103.97 113.57 27.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 73.33 110.843 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.789 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -93.19 139.61 30.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 54.22 110.9 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.64 108.49 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 73.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.8 t -90.57 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.09 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.587 ' HA ' HG22 ' A' ' 117' ' ' THR . 54.4 p -144.63 159.52 42.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.31 110.887 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.11 45.98 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 64.51 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.68 158.57 17.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.936 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.488 ' CG ' HD23 ' A' ' 140' ' ' LEU . 49.8 m-20 -55.55 177.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.861 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -93.15 -7.42 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.884 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.24 -17.32 59.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 35.43 112.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 82' ' ' LEU . 10.6 p -50.65 142.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.31 111.16 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.0 m -145.68 167.18 23.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 55.41 110.788 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -59.91 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 62.1 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -38.9 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 44.43 111.105 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -60.66 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 63.54 110.848 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.909 HD12 HG22 ' A' ' 120' ' ' VAL . 43.1 pt -61.06 -29.13 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 72.2 111.122 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.471 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.47 -61.22 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.908 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.49 -46.93 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.51 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.16 -66.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 54.25 110.923 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.723 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.6 m-85 -59.64 -27.22 66.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 51.24 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.92 -30.09 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.873 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -68.28 -50.25 54.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.885 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.97 -102.74 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 71.11 112.438 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 m -133.55 138.38 46.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.332 . . . . 72.2 111.149 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 95' ' ' PHE . 41.7 mt -113.86 145.35 41.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.905 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -100.65 -25.38 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.915 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 156.72 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 63.31 110.938 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.11 132.06 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 52.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.02 157.13 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 74.24 111.099 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 118' ' ' ALA . 9.6 p -132.35 149.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 52.54 111.16 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.62 126.2 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.874 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -117.52 143.56 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 75.44 110.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -87.52 178.48 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 62.13 110.909 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -62.91 -27.18 69.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.91 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -71.95 -22.32 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 74.55 110.878 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.21 29.48 7.52 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 71.4 112.477 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -132.18 153.91 50.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 74.53 110.9 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.87 117.78 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.85 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.88 -31.78 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 61.54 110.89 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.87 -20.97 3.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.745 -0.74 . . . . 44.21 112.486 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 80' ' ' SER . 66.4 p -132.79 142.14 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 71.21 111.183 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.58 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -125.55 166.59 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.23 111.074 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.39 127.3 40.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 62.2 110.887 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.909 HG22 HD12 ' A' ' 91' ' ' ILE . 3.2 t -129.36 127.13 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 75.52 111.118 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.12 115.5 27.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 65.13 110.895 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.617 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.4 m-85 -88.09 139.97 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.04 110.914 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.45 -15.81 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 145.35 42.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.918 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -32.72 62.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -63.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 75.44 111.095 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.25 -28.17 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 71.51 110.87 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.789 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -71.14 -57.18 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.15 111.051 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.705 HD23 HD22 ' A' ' 149' ' ' LEU . 1.3 tm? -57.83 -42.52 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.828 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.13 -46.15 78.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 61.41 110.934 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.16 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 72.12 111.064 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.539 ' HE3' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.853 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -78.39 -25.57 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 54.04 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -89.39 -10.99 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.936 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.1 m-30 -109.76 -41.38 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 71.24 110.883 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -50.75 112.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 65.14 110.888 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.98 5.23 33.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 44.31 112.482 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.728 HG21 ' HB2' ' B' ' 116' ' ' ALA . 53.3 t -87.75 112.68 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.732 . . . . 73.21 111.108 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.56 21.49 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 75.01 112.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.488 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.9 tp -127.63 97.75 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 50.71 37.02 15.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.44 20.2 38.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 61.33 112.485 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -140.88 93.89 8.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 71.51 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.09 4.4 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.72 2.28 . . . . 72.32 112.339 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 mtp -65.27 143.23 57.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 44.11 110.901 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -133.57 110.92 10.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 71.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.4 mp -106.06 139.34 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 44.33 111.151 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.71 115.94 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.21 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.719 ' HA ' HD13 ' A' ' 77' ' ' LEU . 7.2 tp -76.13 123.75 26.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 63.21 110.887 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.71 126.07 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 53.44 111.085 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.28 100.08 12.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 62.32 111.127 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 57.3 m -91.22 169.73 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 61.24 110.836 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -128.81 156.9 42.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.101 -0.5 . . . . 65.13 110.895 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 74.6 mt -117.4 -31.07 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.155 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.77 139.78 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 61.53 110.847 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 156' ' ' LEU . 2.3 mp -88.77 -31.54 18.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 51.31 110.944 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -96.74 26.85 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 43.44 110.893 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -58.27 148.88 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 64.52 110.885 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -110.52 167.99 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.856 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -122.01 112.51 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 70.21 110.908 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -130.74 -178.7 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 75.32 110.815 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -60.28 139.85 57.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 72.24 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 64.43 110.786 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 121.462 0.479 . . . . 75.11 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -19.98 35.74 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.702 2.268 . . . . 73.35 112.351 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.7 96.08 4.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 71.23 110.908 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.16 131.72 5.53 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 72.45 112.461 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -134.5 96.45 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 61.41 110.83 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -131.29 68.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.863 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 35.0 m -96.92 171.95 8.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 44.35 110.885 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.24 -170.8 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.89 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -55.93 174.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.127 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -69.65 148.1 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.31 110.875 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.656 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.8 t90 -55.85 -26.27 46.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.916 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -77.78 -30.99 51.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 52.24 111.076 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.21 -49.48 67.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 55.11 110.844 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -58.83 -38.74 79.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 44.21 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 108' ' ' TRP . 65.9 t -66.81 -60.11 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.34 111.217 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -54.13 -33.1 56.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 62.54 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.31 -41.06 63.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.83 98.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 55.54 111.082 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -76.04 -38.38 57.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.22 111.088 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.26 -45.04 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.11 111.124 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.37 -26.36 60.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -87.74 59.64 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 73.05 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 72.34 110.8 -179.904 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.782 0.325 . . . . 62.34 110.86 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.72 155.21 3.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 31.32 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 p -164.0 170.06 17.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.831 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.88 174.17 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.87 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -140.88 157.34 45.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 71.3 111.16 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.86 -156.12 43.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 72.35 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.36 -30.04 10.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 62.01 112.478 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -101.06 66.73 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 63.41 110.88 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -72.28 88.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.88 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.7 tpt -108.33 135.41 49.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.87 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.52 116.08 1.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 34.34 112.47 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -63.57 163.91 10.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 75.01 110.876 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.05 160.53 43.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.701 . . . . 75.01 110.86 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -16.71 37.73 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.652 2.235 . . . . 63.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -54.83 -29.09 54.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.89 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -77.06 -27.58 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.52 110.898 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -70.4 165.17 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 71.24 110.932 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -89.62 89.02 7.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.942 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -109.04 41.73 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.841 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -84.71 -26.44 27.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.873 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.7 mt -86.9 10.58 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 44.2 110.882 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -52.18 161.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.87 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -149.48 167.21 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.51 110.868 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -164.39 84.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 53.14 110.843 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.65 101.8 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.727 . . . . 52.12 112.477 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 t -159.11 155.96 28.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 75.42 110.88 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.78 -67.47 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 74.2 112.494 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.75 -162.17 12.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.668 -0.777 . . . . 55.4 112.468 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.41 50.67 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 75.12 112.494 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.62 133.08 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 73.24 110.879 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.83 -74.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 44.33 112.479 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.589 HG12 HG22 ' A' ' 73' ' ' THR . 15.2 t -110.47 106.76 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 71.42 111.159 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.25 51.25 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 41.4 110.872 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.589 HG22 HG12 ' A' ' 71' ' ' VAL . 8.9 t -163.18 26.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.3 111.127 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.16 149.21 5.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 62.44 112.449 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.9 155.59 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 41.13 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -90.6 113.74 25.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 54.41 110.919 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.693 HD21 ' HB1' ' A' ' 128' ' ' ALA . 2.6 mm? -99.75 133.33 44.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.24 110.919 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -117.05 127.18 53.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.961 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.67 141.95 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 71.51 111.113 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.597 ' HA ' HG22 ' A' ' 117' ' ' THR . 49.9 m -142.63 155.86 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 60.43 110.876 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.07 47.78 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.889 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -111.41 156.89 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.955 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 86' ' ' VAL . 20.4 m-20 -57.55 177.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.02 110.92 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -88.27 -24.56 23.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 65.23 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.31 -21.05 70.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 43.15 112.487 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 82' ' ' LEU . 7.6 p -50.63 145.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 64.35 111.133 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -149.39 167.37 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.879 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.62 -59.22 4.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.853 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.99 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 64.44 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -56.85 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.971 HD12 HG22 ' A' ' 120' ' ' VAL . 41.4 pt -65.19 -29.69 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 45.31 111.131 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.432 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -62.07 -61.01 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.942 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.55 -46.81 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.569 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.3 OUTLIER -51.38 -66.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 74.35 110.941 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.722 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.5 m-85 -58.74 -28.37 65.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.889 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.01 70.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 71.44 111.139 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -30.43 58.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 44.43 110.846 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -70.04 -49.4 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 62.45 110.906 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.05 -114.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 75.4 112.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -127.02 130.33 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 75.42 111.181 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 95' ' ' PHE . 40.4 mt -107.37 147.84 29.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.891 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -98.22 -25.61 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.54 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.11 156.31 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.938 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.432 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -156.19 127.01 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 55.23 111.118 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 157.27 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 71.34 111.084 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.3 p -125.8 144.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 72.21 111.159 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.12 140.82 29.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.846 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -130.49 150.46 51.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 63.33 110.921 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -93.59 176.15 6.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 72.21 110.907 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.09 -25.56 67.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 62.32 110.897 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -70.97 -22.35 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 30.32 110.854 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.88 39.77 4.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 55.2 112.48 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -146.73 162.48 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 75.4 110.86 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 m -53.2 119.7 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.876 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.52 -27.04 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 54.1 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 -13.41 5.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.14 112.449 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 80' ' ' SER . 65.0 p -140.58 141.71 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 64.22 111.144 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -119.84 168.21 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.24 111.106 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.37 125.29 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.971 HG22 HD12 ' A' ' 91' ' ' ILE . 3.2 t -131.44 129.88 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.098 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -95.65 115.28 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.826 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -88.19 143.27 27.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 75.15 110.848 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -79.77 -20.21 46.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 71.34 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 140.26 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.857 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.467 ' HG2' HD11 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -73.69 -28.89 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.2 110.851 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 61.44 111.172 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.62 -33.63 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 42.52 110.858 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.693 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -66.93 -42.04 86.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 61.02 111.076 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.9 OUTLIER -66.33 -49.31 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 63.35 110.986 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -37.97 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.864 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.69 -61.26 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 61.3 111.093 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -32.25 65.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.844 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -77.8 -29.41 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 64.31 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -89.75 -11.6 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 63.15 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -105.17 -42.46 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.934 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -50.31 112.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.935 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.17 -0.85 29.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 63.52 112.502 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' B' ' 116' ' ' ALA . 57.8 t -81.52 113.31 41.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 55.43 111.108 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.19 20.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 72.44 112.339 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tp -127.51 97.75 4.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.946 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t0 51.85 36.55 18.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 64.44 110.871 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.89 19.3 40.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.22 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.14 97.83 6.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 64.14 110.902 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 115.77 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 73.04 112.37 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.451 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.3 mtp -63.14 143.47 57.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.869 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -134.28 107.89 7.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 52.53 110.869 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.615 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.2 mp -107.32 136.55 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.25 111.136 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -125.01 129.09 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 51.12 110.95 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 125' ' ' ARG . 10.4 tt -87.59 123.08 32.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.927 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 50.3 t -111.59 120.86 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 65.44 111.147 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.95 96.44 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 54.32 111.077 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.6 p -169.69 134.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 64.52 110.838 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -142.41 172.51 12.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.921 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 76.8 mt -118.83 -30.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 73.43 111.139 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 27.1 t70 56.07 53.25 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.2 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.9 pp -89.0 -25.52 21.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.4 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -95.85 33.43 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 64.24 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -85.01 79.57 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 64.03 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -148.19 167.12 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 44.33 110.83 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -119.46 85.73 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.882 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -141.12 177.95 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -112.85 117.69 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 54.44 110.871 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 70.44 110.88 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 121.448 0.471 . . . . 73.23 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 80.96 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.644 2.23 . . . . 75.35 112.389 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.83 156.14 16.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.953 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.14 108.1 0.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 74.51 112.491 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 53.9 p -108.33 178.08 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 44.52 110.835 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 6.8 m -74.74 137.03 41.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 43.41 110.86 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 22.6 m -114.76 167.39 10.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.45 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -116.23 -16.2 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.916 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.0 t -162.92 168.08 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.23 111.131 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 1.5 m -64.38 146.09 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 71.51 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.652 ' O ' HG23 ' B' ' 112' ' ' VAL . 65.8 t90 -53.52 -28.06 29.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.906 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -72.93 -32.68 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.23 111.088 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.63 -57.7 8.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 63.23 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -51.51 -34.19 35.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.919 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 108' ' ' TRP . 94.9 t -69.31 -60.28 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 71.43 111.175 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -59.66 -23.4 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 71.41 110.9 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.36 -45.68 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.918 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.68 -28.42 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 43.03 111.094 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -83.08 -46.67 12.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 70.12 111.096 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.94 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 74.15 111.089 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.98 -31.45 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.01 110.924 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -82.24 56.68 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 74.03 110.886 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.882 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.757 0.313 . . . . 54.53 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.6 93.81 8.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 74.42 111.124 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.8 p -87.58 91.59 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 70.13 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -172.26 179.74 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 74.34 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.6 p -114.24 156.08 24.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 72.51 111.158 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.8 -170.55 12.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 62.51 112.473 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.49 88.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.666 -0.778 . . . . 74.22 112.544 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -131.57 61.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.735 0.302 . . . . 52.31 110.922 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -129.33 45.04 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 71.23 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -95.88 108.55 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 75.4 110.863 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.43 171.86 34.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 52.24 112.47 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -129.78 141.93 50.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 64.12 110.866 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.52 158.63 1.42 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 74.21 110.828 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -18.76 36.79 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 75.25 112.342 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.12 -27.97 69.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 72.42 110.908 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -25.99 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.918 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -52.26 148.09 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.936 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -114.17 25.23 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 73.21 110.918 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -127.57 73.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 73.53 110.868 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.61 -25.83 24.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.821 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -87.55 11.09 15.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 63.53 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -53.1 165.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.875 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.26 147.46 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 54.14 110.826 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -124.96 51.38 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 64.44 110.844 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.06 -23.29 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 25.33 112.47 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.0 m -99.76 113.56 26.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 55.01 110.919 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.4 42.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 75.24 112.478 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.85 -29.06 74.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.733 . . . . 71.03 112.464 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.52 101.65 2.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 63.02 112.478 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.5 119.12 5.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.921 0.391 . . . . 73.12 110.924 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 152.49 74.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 74.44 112.503 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.654 HG12 HG22 ' A' ' 73' ' ' THR . 11.1 t -111.94 105.71 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 70.35 111.118 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -87.8 50.7 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.873 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.654 HG22 HG12 ' A' ' 71' ' ' VAL . 8.8 t -160.35 24.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 71.54 111.18 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.35 144.29 4.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 72.31 112.514 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.41 168.67 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 74.3 111.191 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -105.92 113.82 27.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 52.33 110.906 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.809 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -94.13 139.66 30.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 52.22 110.943 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -118.64 109.42 16.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.964 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.68 141.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 75.1 111.111 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.459 ' CB ' HG22 ' A' ' 117' ' ' THR . 50.6 m -146.23 160.71 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.845 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 t30 64.0 42.52 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.866 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.665 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -105.72 158.29 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 54.24 110.907 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.495 ' CG ' HD23 ' A' ' 140' ' ' LEU . 58.9 m-20 -54.95 177.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.882 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -93.82 0.42 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.863 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.3 -16.65 36.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 72.54 112.429 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.665 HG11 HD13 ' A' ' 82' ' ' LEU . 7.5 p -50.73 145.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 52.41 111.174 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 m -147.95 167.65 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.885 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.04 -60.73 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 74.11 110.883 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.83 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 52.3 111.078 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -61.37 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 71.32 110.849 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.096 HD12 HG22 ' A' ' 120' ' ' VAL . 46.3 pt -60.77 -28.26 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 72.14 111.122 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -62.03 -61.16 2.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.942 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.36 -47.19 86.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.77 -66.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 72.32 110.943 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.75 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.9 m-85 -58.85 -27.48 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.3 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 61.21 111.092 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -52.65 -30.71 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.938 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -69.56 -50.9 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 74.04 110.923 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.97 -120.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 75.01 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 m -127.0 107.77 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 74.32 111.158 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 95' ' ' PHE . 82.9 mt -77.97 165.42 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 72.42 110.928 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -30.27 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.902 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.66 156.22 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 63.24 110.829 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.93 134.69 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 65.11 111.061 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 153.74 40.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 52.14 111.054 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -130.65 152.17 37.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.105 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.55 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -94.81 123.77 38.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.858 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.47 147.83 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.1 110.949 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -92.79 -175.5 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 75.11 110.871 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -63.38 -29.69 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.883 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -73.7 -22.39 59.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.882 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.55 24.47 11.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.773 -0.727 . . . . 72.23 112.45 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -124.23 157.11 35.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 74.52 110.876 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.6 t -53.29 125.9 19.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.53 110.846 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 107' ' ' ASP . 9.9 mt -63.8 -26.4 68.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 74.43 110.96 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.18 -15.43 4.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 44.52 112.505 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.459 HG22 ' CB ' ' A' ' 80' ' ' SER . 19.5 p -135.11 141.83 46.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 72.12 111.109 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -127.63 166.05 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.23 111.133 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.01 122.99 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.829 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 1.096 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -124.96 130.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 63.44 111.16 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -95.61 114.03 25.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.51 110.802 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.549 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.4 m-85 -86.76 133.47 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 70.44 110.847 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.43 -14.48 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.457 HH12 HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -139.44 142.38 37.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 64.41 110.898 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -30.79 58.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.43 -64.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 65.31 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -26.81 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.04 110.83 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.809 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -64.95 -51.55 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.1 tm? -68.12 -40.47 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.91 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -65.55 -48.41 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 61.33 110.902 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.9 -60.31 3.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 74.42 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.89 53.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.877 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -77.45 -28.61 52.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.909 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.17 -11.1 44.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 64.14 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -106.39 -43.82 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.013 0.435 . . . . 73.32 110.96 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -50.46 112.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 63.14 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.84 1.75 30.39 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.706 -0.759 . . . . 70.12 112.468 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.676 HG21 ' HB2' ' B' ' 116' ' ' ALA . 59.5 t -84.9 112.78 45.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 71.14 111.112 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.91 18.4 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.72 2.28 . . . . 73.34 112.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.495 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.1 tp -125.02 97.7 5.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.959 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.0 t0 51.62 35.25 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 65.53 110.911 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.63 34.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 62.13 112.52 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.98 95.51 7.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 72.52 110.897 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 116.27 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 62.32 112.325 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.93 145.63 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.833 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -135.27 107.75 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 64.41 110.871 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.31 131.11 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 73.24 111.141 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.03 115.76 25.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 64.3 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.754 ' HA ' HD13 ' A' ' 77' ' ' LEU . 17.1 tp -76.7 128.16 34.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.45 110.989 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.95 125.18 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.45 111.19 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -97.72 88.52 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 74.52 111.096 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.2 t -159.84 119.95 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.3 110.851 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -141.66 154.19 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 63.44 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.473 ' O ' HD23 ' A' ' 156' ' ' LEU . 53.2 mt -95.02 -41.61 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 70.33 111.168 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -84.67 71.48 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 70.42 110.902 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 156' ' ' LEU . 0.8 OUTLIER -88.69 -25.71 22.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 63.43 110.953 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -52.42 -35.19 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.849 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -63.36 134.23 55.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -157.37 146.46 19.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 64.32 110.809 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -93.95 150.84 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -74.95 151.05 38.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 74.3 110.821 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -86.37 -45.82 10.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.824 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 48.6 t60 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 72.51 110.829 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 121.417 0.454 . . . . 70.42 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -173.56 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.651 2.234 . . . . 74.2 112.359 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mp -99.77 -59.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.31 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.33 -160.99 33.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 34.25 112.506 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -96.69 37.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 73.04 110.903 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -161.91 151.72 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 64.53 110.847 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 94.4 m -127.37 26.16 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 45.35 110.962 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -116.1 -16.09 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.886 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.7 t -167.55 176.53 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 74.44 111.166 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 9.7 m -79.42 147.99 32.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.876 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.647 ' O ' HG23 ' B' ' 112' ' ' VAL . 67.4 t90 -55.64 -25.95 41.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 63.3 110.936 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -78.14 -30.67 49.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.4 111.087 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.98 -52.47 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 65.33 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -56.67 -40.24 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 65.15 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 108' ' ' TRP . 91.9 t -64.18 -60.28 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 63.05 111.099 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' B' ' 117' ' ' ALA . 13.1 ptp180 -55.02 -30.29 59.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.874 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -75.47 -37.54 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.876 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.76 78.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 44.43 111.1 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -81.66 -34.17 30.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.45 111.181 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' B' ' 113' ' ' ARG . . . -51.49 -52.7 44.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.3 111.076 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -64.58 -27.94 69.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.9 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -80.3 62.18 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 71.3 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.908 -179.896 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 74.52 110.803 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.4 157.05 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 73.2 111.076 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.1 m -77.52 -36.31 52.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 64.23 110.839 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 61.5 mtm -95.21 106.91 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.13 110.872 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -61.88 115.82 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.087 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.58 -52.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 70.22 112.495 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.49 125.64 8.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.747 -0.739 . . . . 52.13 112.473 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -129.01 68.95 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 44.24 110.853 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -136.44 123.42 21.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.92 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.0 ptm -130.81 -179.3 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.52 110.908 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.12 -99.54 2.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 55.22 112.459 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -88.02 130.3 35.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.772 0.32 . . . . 72.32 110.879 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 160.5 62.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.518 0.675 . . . . 73.24 110.899 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 -20.27 35.52 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.701 2.267 . . . . 70.05 112.314 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -99.07 18.88 16.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 54.45 110.856 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -105.04 26.76 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.921 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -76.97 170.37 16.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.93 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -109.11 36.67 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 44.22 110.967 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -65.01 -24.87 67.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.84 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -71.02 -21.36 62.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.891 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mt -87.3 10.63 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 64.3 110.901 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -51.87 167.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.922 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -84.88 129.45 34.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.822 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.8 p -100.93 49.65 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 60.13 110.902 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 138.01 111.41 1.02 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.754 . . . . 50.01 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.5 p -161.58 130.24 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 55.22 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.31 -94.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 64.4 112.462 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.37 101.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 25.44 112.519 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.43 -69.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.735 -0.745 . . . . 43.41 112.451 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -63.92 144.07 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 73.32 110.882 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.69 68.99 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 72.52 112.436 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.594 HG12 HG22 ' A' ' 73' ' ' THR . 12.4 t -111.21 106.32 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 64.54 111.181 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.77 47.86 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 71.23 110.793 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.594 HG22 HG12 ' A' ' 71' ' ' VAL . 8.8 t -156.68 22.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.117 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.3 156.69 8.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 74.55 112.527 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.13 178.44 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 72.42 111.058 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -112.76 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 53.1 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.939 HD11 ' HB1' ' A' ' 128' ' ' ALA . 2.9 mp -118.53 136.61 53.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.869 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 118' ' ' ALA . 52.7 tp -113.39 114.07 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.87 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.6 t -90.89 148.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 64.21 111.145 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.451 ' CB ' HG22 ' A' ' 117' ' ' THR . 58.8 m -148.34 161.56 41.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 64.33 110.865 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 65.39 42.51 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 71.52 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.674 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -107.13 157.89 17.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.866 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.34 177.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.867 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -91.99 -14.65 29.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.864 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.59 -16.89 76.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 74.33 112.513 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.674 HG11 HD13 ' A' ' 82' ' ' LEU . 11.3 p -50.26 146.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.786 0.327 . . . . 74.13 111.173 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.1 m -149.59 165.59 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.24 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -60.17 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.842 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.66 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.3 111.061 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -60.26 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.87 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.805 HD12 HG22 ' A' ' 120' ' ' VAL . 44.4 pt -61.44 -29.1 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 41.43 111.17 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -61.06 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.1 -46.85 88.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.429 HD13 HG11 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -51.44 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.945 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.722 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.2 m-85 -59.22 -27.25 65.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 75.45 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -30.17 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 51.53 111.037 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -55.54 -30.07 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.823 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -69.3 -50.69 44.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.836 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.53 -115.92 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 72.0 112.462 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 m -129.54 117.08 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 71.4 111.186 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 95' ' ' PHE . 47.0 mt -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.22 110.894 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.88 -32.16 5.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.897 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 150.92 28.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.98 131.21 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 64.01 111.119 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 119' ' ' ASP . . . -146.24 157.56 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.44 111.098 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.0 p -129.01 151.0 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 70.01 111.099 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.71 128.56 44.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.937 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -114.34 151.49 32.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 73.15 110.984 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -99.83 176.25 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 43.24 110.852 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.26 -25.04 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 75.15 110.942 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -71.28 -22.38 61.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.861 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.75 23.65 13.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 64.4 112.513 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -134.61 164.7 26.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 74.13 110.911 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.76 124.48 12.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.956 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.94 -27.54 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 52.41 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.26 -16.4 3.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 63.1 112.46 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.451 HG22 ' CB ' ' A' ' 80' ' ' SER . 29.9 p -140.2 141.61 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 63.22 111.098 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -124.39 169.36 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.098 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.5 ' OD2' ' HB3' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -127.87 128.45 45.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 63.45 110.937 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.805 HG22 HD12 ' A' ' 91' ' ' ILE . 2.1 t -132.68 126.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 64.13 111.127 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -98.29 113.87 25.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.773 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 77' ' ' LEU . 4.3 m-85 -85.06 148.66 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.11 -15.69 55.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 50.1 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.405 ' HG3' ' HB2' ' A' ' 127' ' ' ASP . 0.0 OUTLIER -138.29 140.4 39.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.35 110.861 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.624 ' HD2' HD11 ' A' ' 149' ' ' LEU . 11.4 tpt180 -69.91 -42.67 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.879 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.07 -63.94 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 73.24 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.405 ' HB2' ' HG3' ' A' ' 124' ' ' ARG . 15.3 t70 -52.88 -37.3 60.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 75.35 110.869 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.939 ' HB1' HD11 ' A' ' 77' ' ' LEU . . . -61.46 -44.23 97.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.133 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -68.55 -44.71 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.885 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -63.58 -43.53 96.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 54.14 110.858 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.17 -62.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 63.01 111.091 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -32.89 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.03 110.886 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -78.9 -27.66 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 72.41 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -10.54 45.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.493 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.0 m-30 -108.37 -43.96 4.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 75.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -49.09 112.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.874 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.41 5.21 32.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 41.12 112.505 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 135' ' ' TYR . 50.3 t -87.56 112.01 45.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 65.22 111.083 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.63 129.35 17.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 70.32 112.386 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.99 98.07 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 71.15 110.894 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.1 t70 51.7 33.41 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.85 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.76 20.03 27.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.788 -0.72 . . . . 23.12 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.15 97.01 7.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.612 0.72 . . . . 74.01 110.786 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 116.43 4.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.628 2.219 . . . . 74.33 112.331 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 mtp -65.68 141.26 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.846 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -130.56 107.69 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.89 126.93 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 62.41 111.102 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 74.24 110.944 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.624 HD11 ' HD2' ' A' ' 125' ' ' ARG . 10.4 tt -77.17 134.71 38.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 64.14 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 75.8 t -128.15 124.99 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 71.53 111.147 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.65 95.32 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 70.22 111.054 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.2 t -175.23 154.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 54.02 110.816 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -149.11 164.66 34.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 70.14 110.89 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.36 -46.02 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 54.41 111.15 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.15 83.93 2.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.855 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 156' ' ' LEU . 0.8 OUTLIER -87.46 -25.15 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.95 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -76.19 -36.56 58.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 61.02 110.872 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -54.01 -30.01 45.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.857 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -99.74 102.85 14.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.795 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -132.16 163.25 28.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.22 110.819 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -103.41 117.33 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.837 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -122.37 123.56 41.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.8 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 15.0 p80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.851 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 121.491 0.495 . . . . 70.13 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 149.02 66.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 70.13 112.278 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 17.5 mt -130.68 55.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.928 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 62.42 -175.56 7.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 45.02 112.483 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.1 t -71.12 144.29 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 74.03 110.846 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 28.6 m -94.62 98.15 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 65.52 110.819 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 7.4 p -119.98 -37.78 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.11 110.862 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.51 -170.58 2.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.0 t -58.75 174.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 51.35 111.144 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -66.81 151.06 48.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 74.3 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.534 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 64.8 t90 -60.32 -25.48 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 64.44 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.29 -22.58 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 61.43 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.46 -57.74 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.785 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.23 -49.47 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.816 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.429 HG11 HD13 ' A' ' 94' ' ' LEU . 7.0 p -67.54 -36.45 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 64.31 111.099 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -59.04 -41.17 87.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 55.45 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.93 -42.23 49.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.49 76.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.32 111.096 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.97 -46.71 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 64.15 111.019 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.48 -31.96 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 74.42 111.106 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -69.47 -26.38 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.92 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.46 29.74 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.826 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.902 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.729 0.299 . . . . 75.21 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.3 153.33 29.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 43.43 111.09 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m -145.3 172.75 12.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 61.22 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.7 ptm -174.28 150.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.876 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 p -151.56 176.79 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 64.5 111.117 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.06 -166.06 39.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.654 -0.784 . . . . 74.53 112.452 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.18 65.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 60.13 112.505 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -170.07 124.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.717 0.294 . . . . 31.34 110.891 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -87.15 97.34 10.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.907 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.2 mtt -152.17 137.34 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 72.1 110.856 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.64 163.42 11.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.773 -0.727 . . . . 61.13 112.49 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.83 136.85 39.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 73.32 110.82 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.09 160.61 42.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.534 0.683 . . . . 64.34 110.888 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -13.58 35.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 65.22 112.389 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -52.03 -30.45 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 73.21 110.849 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -30.28 26.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.847 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -57.71 161.46 3.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.281 -0.418 . . . . 74.53 110.91 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -137.66 142.2 41.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 61.31 110.891 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.02 39.12 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 62.52 110.856 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -65.98 -18.42 65.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.56 11.91 13.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -52.95 160.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.92 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -94.38 148.85 21.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.845 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.3 t -129.71 82.91 2.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 70.51 110.812 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.94 108.07 0.52 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.782 -0.723 . . . . 61.34 112.521 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.9 t -129.51 151.78 49.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 74.43 110.85 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.0 124.63 2.5 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.747 -0.74 . . . . 65.23 112.514 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.08 140.79 4.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 72.15 112.504 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.29 -76.0 1.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 70.33 112.488 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -91.6 147.05 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 73.35 110.89 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.626 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -140.9 -85.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 75.14 112.48 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.722 ' CG1' HG22 ' A' ' 73' ' ' THR . 17.4 t -143.79 148.67 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 63.12 111.06 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.89 41.71 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.889 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.722 HG22 ' CG1' ' A' ' 71' ' ' VAL . 13.0 t -153.96 30.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.42 111.142 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.98 146.75 4.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 62.44 112.473 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.83 167.69 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 35.24 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -106.99 113.21 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.941 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.848 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm? -93.84 139.43 30.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.856 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 tp -120.36 112.68 19.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.844 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.31 142.86 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 75.1 111.138 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.595 ' HA ' HG22 ' A' ' 117' ' ' THR . 91.7 p -145.86 155.7 43.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 52.22 110.813 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 64.63 46.46 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.906 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -107.82 157.69 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.889 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 177.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 54.25 110.844 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -92.01 -12.66 32.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.869 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.46 -16.96 72.33 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.745 -0.74 . . . . 64.12 112.421 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 82' ' ' LEU . 9.2 p -50.9 145.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 54.43 111.17 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 166.03 30.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 72.54 110.862 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.38 -60.37 2.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.847 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.09 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.21 111.123 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -60.31 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 51.33 110.936 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.98 HD12 HG22 ' A' ' 120' ' ' VAL . 42.1 pt -61.67 -29.48 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -61.03 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.03 110.924 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.69 -47.07 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.51 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.584 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.16 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.9 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.1 m-85 -58.83 -28.44 66.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.917 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.72 -30.68 71.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 54.01 111.138 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -30.71 43.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.887 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -69.29 -50.92 42.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 60.12 110.898 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.03 -111.3 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 74.23 112.49 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -127.8 133.66 49.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.346 . . . . 75.23 111.134 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 41.0 mt -111.49 146.26 37.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.875 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -101.48 -27.18 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.908 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 146.92 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.32 110.821 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.74 112.4 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.52 111.092 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.7 157.21 47.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 74.15 111.142 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.9 p -124.36 145.49 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 72.13 111.172 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.8 132.89 34.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.879 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -126.73 140.61 52.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 64.01 110.947 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -74.06 175.78 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 71.53 110.809 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -23.88 67.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.811 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.66 -22.23 59.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 55.21 110.914 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.46 44.29 2.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 54.52 112.472 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -146.01 152.7 39.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 73.5 110.866 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.9 t -51.98 111.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.3 110.894 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.94 -29.3 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 72.01 110.891 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.72 -15.4 4.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 41.24 112.51 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 80' ' ' SER . 82.4 p -134.03 141.8 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 74.15 111.211 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -119.21 164.87 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.34 111.095 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.21 118.52 22.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.98 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -127.33 125.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.13 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -95.56 114.98 26.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.601 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.9 m-85 -85.16 144.92 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 70.31 110.894 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -78.19 -16.65 57.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 75.02 110.883 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.86 143.99 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 74.03 110.838 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -34.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.804 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.52 111.045 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.778 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.848 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.96 -50.59 54.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.099 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.3 tm? -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 70.54 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -64.99 -44.85 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.934 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.69 -61.72 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 70.2 111.057 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -34.18 53.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 71.44 110.891 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -78.06 -27.55 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -89.15 -11.33 44.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 70.22 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.481 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.16 -43.28 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.879 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -50.52 112.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 64.53 110.953 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.26 3.46 33.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 64.33 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 135' ' ' TYR . 56.1 t -86.57 112.77 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 70.51 111.14 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 129.95 18.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.724 2.283 . . . . 72.22 112.335 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.657 ' CD1' HG22 ' B' ' 112' ' ' VAL . 8.1 tp -124.48 97.89 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 65.53 110.91 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 t70 50.91 34.82 11.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 70.45 110.856 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.51 19.75 31.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 75.43 112.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.1 95.19 7.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 71.44 110.882 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 72.45 112.325 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -65.03 146.08 55.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.871 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -135.66 107.74 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 63.23 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.06 132.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 54.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.7 115.89 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.951 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.774 ' HA ' HD13 ' A' ' 77' ' ' LEU . 8.4 tt -76.23 129.51 36.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.03 110.942 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.88 124.53 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.51 111.164 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.626 ' HB1' ' HA3' ' A' ' 70' ' ' GLY . . . -104.37 87.06 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 62.4 111.088 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.3 t -156.84 109.61 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.823 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -155.04 167.83 29.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 74.3 110.864 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.6 mm -92.5 -31.62 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 71.21 111.164 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 49.4 t0 61.05 63.71 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.893 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 78.5 mt -89.15 -22.98 22.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 72.12 110.911 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.75 -30.29 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 62.23 110.838 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.77 160.84 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 61.12 110.811 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 39.8 t60 61.43 33.75 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.846 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -113.59 61.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.874 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -83.82 97.3 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.864 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.73 67.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.816 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.816 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 121.492 0.496 . . . . 70.04 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 117.91 5.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 74.54 112.347 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.77 75.14 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.904 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 52.79 27.22 27.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 65.14 112.494 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -65.78 154.45 39.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 72.05 110.873 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 76.9 p -96.26 26.6 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.41 110.9 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 51.9 m -82.87 -176.83 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 72.23 110.885 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -69.13 -75.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.925 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -146.06 175.07 10.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 53.34 111.104 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 5.4 t -60.88 -170.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 70.55 110.892 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.509 ' O ' HG23 ' B' ' 112' ' ' VAL . 66.3 t90 -93.36 -24.27 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -79.61 -25.1 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.53 111.116 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -58.35 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -51.83 -37.14 50.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.845 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.657 HG22 ' CD1' ' A' ' 140' ' ' LEU . 60.3 t -72.15 -41.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.13 111.123 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.584 ' HG3' HD12 ' A' ' 94' ' ' LEU . 53.9 mtp180 -63.9 -37.48 87.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.861 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.74 -35.85 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.12 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.45 88.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.32 111.117 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -81.92 -43.71 17.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 74.43 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.65 -49.99 61.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 62.22 111.027 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -57.07 -26.07 59.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 73.45 110.888 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -88.96 64.18 7.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 73.4 110.894 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.77 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 31.8 ttp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.328 . . . . 72.02 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.26 122.77 15.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 50.24 111.077 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -141.78 137.82 31.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 44.35 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -117.34 144.46 44.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.13 110.854 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 t -170.72 143.7 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 73.42 111.142 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.39 -174.15 33.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.798 -0.715 . . . . 54.3 112.491 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.92 140.08 2.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.759 . . . . 62.15 112.418 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -174.06 120.91 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 53.51 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -110.97 144.2 40.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 64.2 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -66.51 -177.98 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.886 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.15 141.94 10.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 50.42 112.463 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -85.83 131.96 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 74.41 110.933 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.56 158.41 1.51 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.597 0.713 . . . . 61.42 110.914 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -13.51 34.72 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 74.52 112.394 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -52.45 -29.66 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 53.54 110.905 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -51.83 -42.66 62.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 71.54 110.901 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -54.16 169.11 0.19 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.29 107.81 19.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 70.41 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -122.96 -3.66 8.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.35 110.878 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -89.85 -5.81 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 63.31 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.68 33.86 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 64.43 110.902 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -51.28 160.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.834 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.65 129.88 56.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 64.22 110.83 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.8 t -139.49 76.57 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.821 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.07 88.37 0.83 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 53.1 112.493 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.7 t -174.34 153.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 72.41 110.876 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.19 121.96 1.94 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.681 -0.771 . . . . 73.45 112.451 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.5 140.23 15.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.848 -0.692 . . . . 71.05 112.518 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.53 70.65 0.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 61.55 112.463 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.652 ' HG2' ' HB3' ' A' ' 151' ' ' ALA . 42.4 mt-10 -100.95 155.6 17.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 72.41 110.847 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.33 46.39 0.18 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.671 -0.776 . . . . 62.41 112.472 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.657 HG12 HG22 ' A' ' 73' ' ' THR . 5.5 t -111.14 103.34 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 74.43 111.164 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -90.42 47.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 62.55 110.857 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.657 HG22 HG12 ' A' ' 71' ' ' VAL . 8.9 t -151.19 20.04 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.3 111.114 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.14 156.07 6.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.685 -0.769 . . . . 71.13 112.465 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.41 172.1 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 72.52 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -110.1 113.36 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.32 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.853 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.9 mm? -92.94 140.61 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 43.34 110.949 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.0 tp -121.04 110.11 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 62.22 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.59 143.6 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.02 111.117 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.406 ' CB ' HG22 ' A' ' 117' ' ' THR . 49.0 m -147.41 158.91 44.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.846 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.03 42.66 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 55.52 110.834 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -106.75 156.2 18.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.893 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.4 177.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.32 110.877 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -90.17 -18.46 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -19.71 79.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 60.32 112.551 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.606 HG11 HD13 ' A' ' 82' ' ' LEU . 9.7 p -50.35 146.46 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 33.14 111.176 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 165.08 33.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 62.04 110.874 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -59.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 53.41 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.18 77.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.12 111.07 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -61.03 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.43 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.899 HD12 HG22 ' A' ' 120' ' ' VAL . 44.6 pt -61.12 -28.7 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.0 111.056 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -61.6 -61.27 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 64.12 110.862 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.19 -47.32 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.76 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.04 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.984 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.72 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.9 m-85 -59.92 -27.88 67.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.875 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -64.26 -30.5 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 61.23 111.11 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.12 -31.32 51.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.885 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -67.98 -49.04 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.897 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.01 -120.28 0.53 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 73.52 112.472 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -124.09 112.99 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 71.41 111.085 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.72 HD11 ' CB ' ' A' ' 95' ' ' PHE . 46.8 mt -86.14 154.39 21.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.871 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -33.72 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.891 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -157.18 150.75 24.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 73.01 110.881 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.563 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -156.04 127.09 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.2 111.037 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.03 151.06 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -120.18 152.41 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 63.31 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.491 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -94.21 127.1 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.871 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.27 146.68 42.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 74.41 110.897 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -90.92 -175.47 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 71.5 110.846 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -65.38 -29.02 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 75.24 110.841 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.6 m -71.5 -22.27 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.879 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.47 22.16 13.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.65 -0.786 . . . . 63.02 112.501 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -124.98 161.59 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 74.42 110.866 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.21 132.48 43.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 63.2 110.842 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 107' ' ' ASP . 6.3 mt -69.77 -24.63 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.922 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.81 -14.88 5.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.819 -0.705 . . . . 70.14 112.511 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.406 HG22 ' CB ' ' A' ' 80' ' ' SER . 82.4 p -138.22 141.66 39.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.78 0.324 . . . . 71.31 111.134 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.97 162.22 23.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.061 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -126.57 126.07 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 54.24 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.899 HG22 HD12 ' A' ' 91' ' ' ILE . 2.7 t -134.89 125.87 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 63.43 111.118 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -95.28 119.4 33.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 70.22 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.609 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.6 m-85 -88.97 134.31 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.45 110.886 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.82 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.884 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 143.56 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.933 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.91 -33.03 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 70.23 110.897 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.09 -64.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.16 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -26.24 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.853 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -64.88 -50.8 65.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.25 111.059 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.1 tm? -69.01 -38.44 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 61.44 110.89 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -67.53 -47.65 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.943 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.56 -57.26 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.21 111.081 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -33.62 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -76.4 -28.68 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 73.51 110.9 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -89.22 -14.35 36.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.4 m-30 -101.9 -43.99 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.836 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -50.48 112.04 0.63 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 71.04 110.872 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.64 2.71 28.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.663 -0.779 . . . . 73.53 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.9 t -84.36 112.67 43.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 75.44 111.1 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 132.0 22.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 74.3 112.337 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.653 ' CD1' HG22 ' B' ' 112' ' ' VAL . 9.0 tp -129.51 97.85 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.03 110.986 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.57 37.07 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 64.23 110.854 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.47 20.66 40.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 54.3 112.496 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.06 94.39 7.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 75.24 110.915 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 116.19 4.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 73.11 112.371 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mtp -62.11 144.77 54.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 52.45 110.946 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -134.69 107.74 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 70.24 110.833 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.11 137.37 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 63.32 111.142 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.94 115.75 21.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.891 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.756 ' HA ' HD13 ' A' ' 77' ' ' LEU . 10.3 tt -76.87 126.87 31.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 62.32 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 91.4 t -114.81 126.07 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 55.13 111.098 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.652 ' HB3' ' HG2' ' A' ' 69' ' ' GLU . . . -88.35 87.06 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.32 111.095 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.2 t -158.0 145.0 17.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 65.3 110.86 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -130.37 174.98 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 64.21 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 40.2 mm -122.02 -34.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 41.03 111.089 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.45 73.45 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 50.44 110.853 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.1 -33.03 21.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 70.04 110.949 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -60.23 -71.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.904 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -96.04 163.59 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.833 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -173.79 137.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.864 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -61.26 -179.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -166.62 130.69 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.881 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -96.81 172.69 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.852 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.833 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 CA-C-O 121.379 0.433 . . . . 75.53 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.502 ' C ' HD22 ' B' ' 100' ' ' LEU . 53.9 Cg_endo -69.72 86.21 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.722 2.281 . . . . 52.12 112.322 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.502 HD22 ' C ' ' B' ' 99' ' ' PRO . 4.5 mm? -123.31 177.62 5.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 71.31 110.879 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 147.72 -43.66 0.82 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.712 -0.756 . . . . 72.43 112.5 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t -61.85 -27.31 68.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 73.04 110.822 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.3 m -66.07 150.61 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 62.23 110.828 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 63.7 m -112.32 -36.72 5.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 51.42 110.891 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.59 -172.0 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 72.52 110.874 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.0 t -55.88 168.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.12 111.152 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 72.0 m -64.08 146.83 53.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 64.45 110.892 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.595 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 68.9 t90 -56.21 -24.89 44.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 74.44 110.898 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.24 -31.07 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.42 111.079 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.23 -56.47 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.55 -47.72 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.842 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.653 HG22 ' CD1' ' A' ' 140' ' ' LEU . 58.9 t -63.83 -50.67 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 70.43 111.112 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.76 ' HG3' HD12 ' A' ' 94' ' ' LEU . 50.5 mtm180 -52.01 -37.37 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.915 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.63 -47.93 43.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 64.23 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.77 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.53 111.084 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.6 -39.09 58.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.42 111.07 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.75 55.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 74.15 111.039 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -84.13 -30.37 25.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 70.14 110.939 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -85.73 58.56 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 63.02 110.807 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.859 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 73.13 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.18 172.34 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.42 111.098 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 p -168.48 177.94 5.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 41.11 110.832 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.3 ptt? -172.48 179.78 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.851 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.6 t -160.75 173.7 15.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 65.04 111.197 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.7 -167.42 16.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 73.42 112.468 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.04 145.47 6.72 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 22.05 112.476 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -151.92 115.84 4.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 73.43 110.881 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -100.17 171.23 7.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 43.23 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.0 ptp -145.33 -176.83 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.89 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.49 -164.72 10.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 70.01 112.459 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -115.82 179.23 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 74.52 110.861 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.56 160.55 47.47 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.548 0.69 . . . . 61.32 110.884 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.75 37.48 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.715 2.277 . . . . 60.45 112.342 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.94 -22.71 60.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.882 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -62.48 -31.06 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.889 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -51.79 168.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 55.41 110.96 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -130.29 -179.38 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.942 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -107.41 -24.59 11.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 72.3 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.0 -5.1 47.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.18 33.67 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 72.2 110.929 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -50.97 168.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 64.21 110.904 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -100.19 80.27 2.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 64.33 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -103.25 -26.8 12.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 53.44 110.865 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.67 -24.69 55.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 71.04 112.519 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.7 m 61.63 31.96 18.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 70.11 110.852 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.92 -171.08 3.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.687 -0.768 . . . . 71.14 112.533 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.41 -130.66 7.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 70.34 112.485 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.41 121.95 1.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 61.15 112.502 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -145.45 110.44 5.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 73.25 110.785 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.37 43.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 65.43 112.473 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.923 HG12 HG22 ' A' ' 73' ' ' THR . 2.1 t -116.54 121.65 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 72.54 111.13 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -95.34 36.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 63.34 110.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.923 HG22 HG12 ' A' ' 71' ' ' VAL . 12.3 t -138.54 28.19 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 74.42 111.122 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 149.18 152.57 5.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.794 -0.717 . . . . 61.32 112.51 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.8 153.45 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 62.41 111.09 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.744 ' C ' HD22 ' A' ' 77' ' ' LEU . 40.1 ttpt -83.74 152.77 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 71.51 110.923 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.744 HD22 ' C ' ' A' ' 76' ' ' LYS . 4.0 mm? -134.24 106.76 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp -89.47 109.54 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 51.54 110.953 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.433 ' CG1' HD23 ' A' ' 82' ' ' LEU . 83.3 t -90.96 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.35 111.196 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 117' ' ' THR . 49.0 m -146.15 160.81 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.878 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 65.37 43.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 62.21 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.6 160.75 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.21 110.889 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.485 ' CG ' HD23 ' A' ' 140' ' ' LEU . 73.8 m-20 -54.89 177.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.14 110.833 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -94.0 3.66 55.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.946 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.47 -16.94 25.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 21.51 112.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 82' ' ' LEU . 9.8 p -50.71 148.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 62.5 111.158 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m -149.29 166.69 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 25.12 110.893 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -59.14 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.939 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.73 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 75.34 111.094 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 74.04 110.891 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.6 pt -60.63 -34.64 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.155 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.461 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -54.28 -61.56 2.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 71.32 110.883 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.91 -47.45 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.841 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.575 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.31 -65.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.891 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.702 ' CD2' HG11 ' A' ' 120' ' ' VAL . 22.0 m-85 -59.09 -29.38 67.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.917 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -62.92 -31.43 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.21 111.061 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -30.94 44.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -66.16 -52.23 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.88 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.69 -97.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 73.52 112.501 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -139.9 137.88 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 64.34 111.114 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 95' ' ' PHE . 43.0 mt -116.1 144.25 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 73.43 110.97 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -91.55 -29.96 16.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 63.33 110.947 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.31 158.09 13.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.878 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -154.9 131.2 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 73.4 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.31 157.53 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 75.44 111.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.36 152.52 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 74.21 111.066 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.07 119.31 38.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.823 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -106.97 161.64 14.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 70.44 110.979 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -103.19 -169.77 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.85 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -67.62 -31.52 71.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.908 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -70.96 -22.38 62.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 71.45 110.855 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.94 35.69 5.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 73.1 112.51 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -137.59 161.7 35.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 64.51 110.894 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 t -51.99 120.4 5.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 40.13 110.937 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.65 -25.18 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 70.51 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.26 -8.51 5.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.72 . . . . 30.13 112.493 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 80' ' ' SER . 45.5 p -140.63 141.99 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 73.34 111.221 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.62 170.22 9.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 62.53 111.067 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.47 114.88 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 54.41 110.904 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.702 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -129.41 131.51 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 73.52 111.099 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -95.84 121.85 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 52.13 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.542 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.1 m-85 -85.52 137.51 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 63.31 110.89 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -67.77 -16.39 64.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.981 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.8 148.35 42.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 73.21 110.788 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -32.8 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.1 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 -63.38 1.29 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 55.14 111.122 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -53.55 -27.82 28.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.719 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.23 -59.49 2.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 53.15 111.088 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.2 tm? -56.23 -42.97 78.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 62.53 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -64.55 -47.19 79.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 62.12 110.921 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.35 -61.11 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 65.52 111.119 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -34.28 52.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 53.02 110.901 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' NZ ' HD11 ' A' ' 129' ' ' LEU . 18.9 ttmt -77.78 -27.67 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.37 -10.88 44.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.956 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.3 m-30 -107.95 -40.87 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 74.22 110.905 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.14 112.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 64.02 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.42 5.51 34.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 43.41 112.498 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 135' ' ' TYR . 52.4 t -85.5 112.66 45.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 50.12 111.121 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 130.42 19.22 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.637 2.225 . . . . 61.11 112.381 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.485 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.9 tp -127.6 97.72 4.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.975 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.5 t0 51.36 36.61 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.51 110.894 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.8 20.55 36.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 54.1 112.476 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 96.12 7.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 73.23 110.911 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 71.45 112.354 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.79 146.03 53.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.804 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -136.54 107.55 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 55.32 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.404 HG13 HG22 ' A' ' 79' ' ' VAL . 5.2 mp -106.14 135.72 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.117 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.89 115.47 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 71.34 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.73 ' HA ' HD13 ' A' ' 77' ' ' LEU . 10.1 tt -73.73 122.36 22.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 72.04 110.952 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 56.1 t -113.19 128.52 69.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 71.13 111.092 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.05 101.88 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 53.32 111.12 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.5 p -127.25 160.53 31.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 64.35 110.893 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.81 -177.01 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.879 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 29.8 mm -120.43 -32.5 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 63.3 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -162.88 157.82 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.01 110.901 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.513 ' H ' HD23 ' A' ' 156' ' ' LEU . 0.7 OUTLIER -84.34 -19.57 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 65.42 110.955 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -95.79 32.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.906 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -82.18 56.81 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 42.54 110.857 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -143.36 146.73 33.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 63.55 110.862 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -158.18 138.88 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 64.52 110.812 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -104.05 162.98 12.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 74.01 110.905 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -156.1 176.34 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.873 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.868 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 121.41 0.45 . . . . 53.35 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 149.64 67.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 74.52 112.351 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 82.1 mt -110.22 -33.76 6.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.949 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.1 73.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 70.24 112.452 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 42.7 m -136.81 142.81 42.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 75.21 110.782 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.2 t -113.9 63.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 75.3 110.895 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.6 142.89 50.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 54.31 110.96 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -172.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 74.02 110.936 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -59.35 175.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 74.5 111.154 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 19.7 m -60.82 -170.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 53.11 110.843 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.639 ' O ' HG23 ' B' ' 112' ' ' VAL . 57.8 t90 -96.25 -21.25 17.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.32 110.962 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -79.34 -30.85 42.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 74.52 111.124 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -52.62 44.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -55.58 -37.34 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.874 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 108' ' ' TRP . 89.5 t -67.81 -60.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 64.05 111.107 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -56.32 -30.25 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.816 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.59 -43.82 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 72.51 110.927 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 61.22 111.095 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.97 -44.76 30.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 64.21 111.135 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.62 -47.58 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 45.33 111.094 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -66.98 -25.41 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.954 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -94.14 55.04 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 73.42 110.844 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.84 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.2 mtm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 52.33 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.97 48.24 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 75.42 111.079 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -139.46 174.07 10.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 74.12 110.839 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.3 mtt -137.19 179.07 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.3 110.885 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -51.9 146.23 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 72.11 111.199 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.17 39.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.516 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.71 140.81 3.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 53.42 112.509 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -123.25 83.91 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.735 0.302 . . . . 61.14 110.976 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -123.37 96.32 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.45 110.932 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.0 ttt -139.86 145.78 38.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 64.24 110.839 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.26 -162.23 12.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.647 -0.787 . . . . 75.23 112.432 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -107.16 129.72 54.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 71.53 110.906 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.14 160.66 42.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 64.41 110.867 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -11.29 30.52 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.248 . . . . 71.43 112.355 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -96.56 18.69 13.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 70.12 110.873 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -97.38 39.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.955 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -100.15 -179.56 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 62.42 110.893 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.53 123.62 47.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.86 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -130.59 4.97 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.32 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.57 ' CG ' HD13 ' A' ' 78' ' ' LEU . 13.9 m-20 -75.01 -14.88 60.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 51.12 110.895 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.65 15.3 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.949 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -92.78 172.96 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 64.12 110.883 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -70.46 160.82 31.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.03 110.873 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -102.01 26.92 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 61.23 110.889 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.49 120.45 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 53.52 112.467 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.15 36.14 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 64.04 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.26 89.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 62.13 112.476 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.71 -123.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.803 -0.713 . . . . 63.23 112.494 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.99 52.67 0.63 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.772 . . . . 61.34 112.446 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -52.7 141.71 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 75.44 110.911 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.46 96.05 0.83 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 61.32 112.457 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.879 HG12 HG22 ' A' ' 73' ' ' THR . 2.6 t -131.08 134.15 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 73.44 111.125 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.98 37.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.879 HG22 HG12 ' A' ' 71' ' ' VAL . 12.0 t -152.52 40.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.116 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 145.78 151.49 5.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 72.44 112.448 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.58 176.0 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 52.3 111.068 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -111.87 113.52 25.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.907 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -96.48 118.49 33.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.93 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.57 HD13 ' CG ' ' A' ' 59' ' ' ASP . 22.4 tp -97.41 108.18 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.901 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 23.7 t -91.24 145.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 53.3 111.116 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.401 ' OG ' HG22 ' A' ' 117' ' ' THR . 8.5 t -150.58 164.57 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.5 110.866 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 63.7 36.2 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.941 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -102.94 159.34 15.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.893 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -54.77 177.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.23 110.871 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.89 -10.08 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.94 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.42 -19.07 62.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 71.22 112.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 82' ' ' LEU . 12.9 p -50.2 147.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 55.13 111.163 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -149.57 166.04 30.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.882 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.43 -59.1 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 70.52 110.858 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.54 81.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.23 111.061 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -61.01 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.821 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.43 -33.47 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 71.52 111.095 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.505 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -55.95 -61.27 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 75.04 110.864 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -62.23 -47.45 84.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 50.43 110.86 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.6 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.1 OUTLIER -51.17 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 61.13 110.908 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 101' ' ' LEU . 35.6 m-85 -59.42 -28.79 67.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.22 110.86 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.56 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.71 -30.42 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.33 110.817 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -67.26 -52.18 43.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 72.2 110.837 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.93 -99.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 75.13 112.51 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -138.97 136.37 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 53.01 111.145 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 95' ' ' PHE . 49.9 mt -112.77 146.5 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.23 110.918 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -31.99 11.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.94 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -158.21 153.57 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 74.51 110.865 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.505 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -155.69 127.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 52.41 111.09 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.47 157.49 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 42.13 111.119 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.3 p -125.49 152.58 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 70.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -97.6 127.8 43.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 65.52 110.891 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -120.42 162.73 19.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.921 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.746 ' OD1' HD21 ' A' ' 115' ' ' LEU . 3.6 t0 -104.59 -177.28 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.908 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -63.23 -26.73 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 65.4 110.865 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.3 m -74.71 -22.32 58.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 64.22 110.834 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.11 41.51 4.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 75.4 112.449 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -141.67 151.55 43.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 72.4 110.885 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.09 114.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 63.31 110.88 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.746 HD21 ' OD1' ' A' ' 109' ' ' ASP . 8.5 mt -59.15 -24.64 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 60.41 110.902 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.96 5.74 7.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 61.24 112.513 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.401 HG22 ' OG ' ' A' ' 80' ' ' SER . 7.3 p -143.23 141.95 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 64.32 111.191 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -128.64 164.35 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.13 111.07 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -138.65 109.51 6.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.879 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.632 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -125.96 128.95 72.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 72.23 111.168 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -94.6 121.45 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.35 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.54 ' CD1' HD23 ' A' ' 77' ' ' LEU . 3.6 m-85 -80.17 146.02 32.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.853 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.76 -15.6 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 64.45 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 144.71 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.849 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -32.47 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.835 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.65 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.024 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.05 -28.28 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.41 110.824 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -65.25 -50.94 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.08 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.6 tm? -66.27 -43.31 86.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.882 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -46.22 83.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.933 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -62.33 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 74.31 111.14 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.91 -32.67 46.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 73.32 110.942 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -77.06 -29.8 55.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.876 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -10.86 45.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 72.12 110.869 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.495 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.6 m-30 -105.66 -43.77 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 74.24 110.878 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -50.97 112.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 75.05 110.891 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.02 0.65 31.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 72.35 112.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.1 t -81.78 113.1 40.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 73.11 111.177 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 130.1 18.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 60.01 112.358 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.411 ' CD1' HG22 ' B' ' 112' ' ' VAL . 7.9 tp -127.16 97.85 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 70.33 110.911 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.35 35.62 20.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.91 38.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 74.32 112.448 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.1 96.57 7.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 72.12 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.02 4.38 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.699 2.266 . . . . 52.02 112.34 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mtp -61.06 145.59 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.53 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -132.89 109.75 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 72.11 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.26 135.36 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 71.04 111.137 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.72 115.56 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.872 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.714 ' HA ' HD13 ' A' ' 77' ' ' LEU . 25.8 tp -71.78 124.85 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.44 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t -114.81 125.53 72.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 52.12 111.149 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -95.82 95.66 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.073 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.0 t -175.66 153.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 55.52 110.919 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.501 ' CD ' HG21 ' A' ' 71' ' ' VAL . 19.1 pt20 -171.58 155.03 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 70.12 110.875 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 65.9 mt -116.48 -42.73 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 65.22 111.145 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.46 77.16 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.0 110.941 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 pp -82.0 -29.5 32.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.93 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -73.93 -57.9 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 65.52 110.879 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.9 t60 55.73 45.77 23.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.492 . . . . 65.01 110.921 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -156.93 144.43 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.45 110.814 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -100.34 148.91 24.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.794 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -135.41 140.33 44.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.42 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -152.94 115.07 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 70.25 110.917 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 13.0 p80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 71.13 110.856 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.381 0.434 . . . . 74.13 112.447 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -33.38 16.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 64.22 112.395 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.09 125.6 47.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 74.22 110.97 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.19 -92.41 0.68 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 60.31 112.569 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.5 m 52.37 36.26 19.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.938 0.399 . . . . 52.15 110.905 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 5.8 t -88.95 116.2 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 71.05 110.834 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 11.9 p -127.46 29.47 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 75.32 110.877 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.48 -16.22 10.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 74.31 110.918 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -130.31 174.94 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.53 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 28.1 m -73.04 150.58 42.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 73.52 110.857 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.634 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.3 t90 -56.98 -26.37 59.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 63.43 110.837 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -76.01 -35.85 59.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 53.22 111.06 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -55.9 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 65.02 110.836 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -51.2 -44.57 61.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 108' ' ' TRP . 62.4 t -62.63 -45.0 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 71.21 111.168 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.6 ' HG3' HD12 ' A' ' 94' ' ' LEU . 67.9 mtp180 -60.14 -37.53 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 60.4 110.828 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -70.51 -43.73 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.66 96.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 62.21 111.092 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -74.46 -38.68 62.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 63.34 111.046 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.51 -53.6 43.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 64.3 111.128 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -63.74 -26.91 68.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 72.53 110.918 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -88.32 55.03 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.886 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.863 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.9 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.723 0.297 . . . . 75.24 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.2 174.86 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 54.33 111.1 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.1 p -157.52 -178.68 7.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 63.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.7 mtp -120.41 126.42 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 62.15 110.851 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -152.82 141.7 21.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 70.23 111.207 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.06 -177.69 18.26 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.75 . . . . 72.41 112.487 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.31 129.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 41.43 112.52 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -172.47 124.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.738 0.304 . . . . 71.35 110.918 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -153.6 115.01 4.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 73.14 110.937 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.3 mtt -144.7 133.98 23.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 75.55 110.944 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.13 146.76 5.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 75.22 112.457 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -95.87 130.72 42.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.349 . . . . 72.1 110.896 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.07 160.56 42.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 72.11 110.882 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.13 32.19 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.697 2.265 . . . . 61.44 112.33 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.14 -26.49 38.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 62.52 110.843 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -115.13 29.03 8.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.888 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -104.48 152.99 21.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 74.11 110.926 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -146.5 151.42 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.15 110.881 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -115.86 -24.28 8.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 63.03 110.819 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.75 -18.93 61.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 74.11 110.874 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.5 mt -86.59 10.27 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 61.12 110.92 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -101.15 159.72 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 63.35 110.866 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -135.7 172.19 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 62.1 110.881 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.4 p -157.9 98.3 1.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.891 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.6 117.12 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.768 . . . . 43.42 112.498 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.4 t -73.95 167.68 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.876 0.369 . . . . 71.41 110.846 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.04 -157.47 7.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 65.54 112.526 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.81 170.49 12.36 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 74.3 112.404 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.49 97.9 2.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 63.3 112.527 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.82 158.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.367 . . . . 72.22 110.906 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.51 -98.33 0.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 70.44 112.505 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.664 ' CG1' HG22 ' A' ' 73' ' ' THR . 13.4 t -141.47 141.64 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 52.21 111.056 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.59 47.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 65.54 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.664 HG22 ' CG1' ' A' ' 71' ' ' VAL . 11.3 t -144.22 14.46 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.191 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 135.84 157.63 7.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 73.41 112.506 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.85 154.05 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 72.22 111.104 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -93.89 112.47 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.914 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 149' ' ' LEU . 3.7 mp -96.79 139.25 33.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.854 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 118' ' ' ALA . 28.0 tp -118.15 115.41 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.906 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 145.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 73.12 111.154 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 117' ' ' THR . 19.3 m -148.22 158.64 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.911 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.73 45.54 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.974 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.692 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -109.16 160.79 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 70.2 110.976 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.11 177.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.44 110.829 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -92.57 -14.38 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.899 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.52 -15.36 76.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 74.25 112.482 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.692 HG11 HD13 ' A' ' 82' ' ' LEU . 12.5 p -50.51 146.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 65.25 111.111 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -150.19 166.26 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.853 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.6 -59.67 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.52 77.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 74.53 111.144 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -60.42 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 74.22 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.034 HD12 HG22 ' A' ' 120' ' ' VAL . 46.5 pt -61.0 -28.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 73.55 111.149 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -60.63 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.2 -47.16 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 65.5 110.901 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.472 HD13 HG11 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -51.29 -66.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.894 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CB ' HD11 ' A' ' 101' ' ' LEU . 13.3 m-85 -57.93 -29.56 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 75.21 110.919 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.23 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.02 111.091 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -30.53 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.15 110.904 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -69.55 -51.35 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 62.15 110.847 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.61 -104.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 71.04 112.464 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 m -130.39 145.43 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 70.43 111.107 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.706 HD11 ' CB ' ' A' ' 95' ' ' PHE . 39.4 mt -124.8 147.32 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.883 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -101.49 -26.83 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.912 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.08 151.12 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.907 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.52 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -153.37 107.0 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 64.4 111.083 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.68 157.23 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 73.23 111.148 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 118' ' ' ALA . 9.5 p -127.31 149.39 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.05 111.127 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.5 129.91 37.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.909 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.39 155.97 27.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.949 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -95.88 178.77 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.876 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -25.77 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.942 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -74.79 -22.28 58.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 61.34 110.823 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.74 22.11 13.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 72.31 112.539 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -124.4 156.77 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.328 . . . . 72.2 110.914 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.7 t -52.97 118.43 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.21 110.85 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.82 -24.6 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.936 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.98 -15.62 5.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.676 -0.773 . . . . 14.2 112.491 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 80' ' ' SER . 63.9 p -134.84 142.18 46.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 75.31 111.12 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -122.79 169.77 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.06 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.0 114.97 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.874 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 1.034 HG22 HD12 ' A' ' 91' ' ' ILE . 2.7 t -120.47 125.51 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 74.14 111.094 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -95.03 114.07 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.883 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -84.84 146.82 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 40.12 110.889 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -83.17 -15.31 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.92 142.97 42.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 64.43 110.871 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.593 ' HD2' HD11 ' A' ' 149' ' ' LEU . 12.1 tpt180 -75.11 -43.94 49.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.859 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 62.44 111.15 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.64 -35.17 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.864 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.429 ' HB1' HD12 ' A' ' 149' ' ' LEU . . . -64.22 -40.28 95.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 32.2 111.108 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -69.77 -46.39 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 62.51 110.91 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -64.07 -40.5 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.05 110.903 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.07 -61.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.075 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -33.05 60.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.04 110.828 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -78.87 -28.22 44.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 74.23 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.93 -11.03 45.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 72.32 110.919 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.05 -43.81 4.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 71.53 110.944 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -50.08 112.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 70.24 110.911 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.09 4.52 33.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 73.43 112.464 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 135' ' ' TYR . 53.5 t -86.22 112.47 46.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 53.44 111.128 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.63 17.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.239 . . . . 62.32 112.378 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.8 tp -124.95 97.81 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.929 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 51.42 35.23 13.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.862 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.68 20.01 32.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 51.23 112.543 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.97 95.19 7.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 71.42 110.819 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.05 4.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 64.32 112.321 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.7 mtp -63.6 146.74 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 74.03 110.828 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -135.5 108.88 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 55.01 110.901 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.62 135.5 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.108 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -127.65 114.36 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.12 110.937 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 77' ' ' LEU . 8.5 tt -74.48 131.28 40.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 70.52 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 73.0 t -121.21 127.19 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 61.22 111.146 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.06 95.43 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 54.54 111.07 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.8 p -140.8 40.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 64.54 110.884 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -123.24 149.92 44.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 71.21 110.861 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 30.7 mm -120.18 -47.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.42 111.093 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.425 ' HB3' HG21 ' A' ' 73' ' ' THR . 38.8 t70 52.19 53.41 12.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 75.34 110.906 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 156' ' ' LEU . 0.9 OUTLIER -85.51 -24.63 27.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.923 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -56.15 -26.67 51.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.834 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 57.64 37.51 27.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.883 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -73.24 -27.38 61.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 65.22 110.853 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -70.53 167.01 19.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -171.25 162.58 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.864 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -101.13 160.13 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 72.51 110.827 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 121.48 0.489 . . . . 74.34 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 110.73 2.62 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.716 2.277 . . . . 53.14 112.355 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -97.48 179.61 4.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 74.15 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.01 78.79 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 64.11 112.512 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.1 p -112.17 142.39 44.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 74.05 110.895 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -81.54 57.57 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.771 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.18 150.58 23.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 54.22 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.57 -18.82 11.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.883 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.7 t -152.29 173.18 15.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 51.34 111.189 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 54.4 m -65.96 -173.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 74.32 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.539 ' CH2' HG23 ' A' ' 86' ' ' VAL . 65.5 t90 -88.56 -23.49 23.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 70.31 110.871 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.52 -25.17 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 54.02 111.103 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -69.31 -55.63 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 73.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -50.65 -49.38 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.872 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.472 HG11 HD13 ' A' ' 94' ' ' LEU . 6.5 p -66.8 -37.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.45 111.11 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -58.98 -40.14 83.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.856 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.2 -42.24 56.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.87 -44.78 78.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 53.34 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -77.2 -47.33 20.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 64.01 111.1 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.94 -34.42 65.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 52.14 111.106 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -63.97 -27.08 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 70.22 110.959 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -95.88 33.54 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 63.25 110.867 -179.855 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.8 ttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.687 0.279 . . . . 75.42 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.36 76.62 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 71.42 111.101 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -70.95 107.09 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 42.25 110.847 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -34.64 78.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.869 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.6 p -54.03 131.87 41.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 75.52 111.147 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.25 147.13 18.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 75.13 112.523 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.58 -20.0 11.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 54.23 112.515 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -78.91 75.52 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 71.24 110.927 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -70.59 171.72 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 70.1 110.891 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.2 ttt -118.24 139.22 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.45 110.904 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.19 112.08 3.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.805 -0.712 . . . . 74.34 112.485 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -114.77 157.12 23.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 72.02 110.912 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 160.69 81.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 63.14 110.92 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.91 -17.0 37.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.633 2.222 . . . . 65.35 112.353 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.24 -30.34 43.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.833 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -68.51 -28.37 66.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 50.12 110.894 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -52.23 127.23 21.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.914 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -65.94 151.74 46.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 73.33 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -99.16 37.85 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.84 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -87.94 -26.19 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.835 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.7 mt -87.25 10.7 16.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.923 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -93.67 179.32 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.836 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -108.05 121.57 45.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 71.02 110.849 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.76 -30.29 32.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 52.31 110.866 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.56 114.28 0.88 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 74.24 112.542 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 p -127.83 35.99 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 64.13 110.873 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.85 67.48 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 24.51 112.413 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.75 60.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 61.44 112.515 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.47 -51.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.763 . . . . 51.14 112.458 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.61 132.81 54.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 62.03 110.912 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.08 97.75 1.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 62.21 112.491 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 73' ' ' THR . 11.7 t -140.71 142.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 63.12 111.19 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.61 48.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 65.03 110.916 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.704 HG22 HG12 ' A' ' 71' ' ' VAL . 11.4 t -149.1 17.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 45.33 111.158 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.44 148.13 4.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 73.2 112.523 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 150' ' ' VAL . . . -163.98 152.64 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 74.11 111.085 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -86.8 122.71 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.75 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.3 mm? -106.18 121.41 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.872 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 tp -98.51 126.05 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 61.43 110.875 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.582 ' CG1' HD23 ' A' ' 82' ' ' LEU . 89.8 t -105.19 142.79 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 54.02 111.092 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 117' ' ' THR . 19.3 m -149.1 161.57 41.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.862 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.89 45.06 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 64.22 110.906 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -110.36 159.35 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.962 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.61 177.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.805 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -93.78 -5.31 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 55.34 110.917 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.01 -15.09 56.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 71.51 112.518 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 82' ' ' LEU . 7.1 p -49.11 146.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 74.41 111.177 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.64 159.44 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.794 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.57 -49.82 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 71.42 110.82 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.49 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 50.23 111.101 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -52.04 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 60.4 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.703 HD12 ' CG1' ' A' ' 120' ' ' VAL . 17.1 pt -67.01 -37.73 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 62.3 111.142 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.509 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.13 -60.23 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.938 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -47.45 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 73.53 110.83 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.559 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.3 OUTLIER -51.74 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.847 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.731 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.2 m-85 -57.43 -29.98 64.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.878 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.23 72.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 75.02 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.81 -30.67 34.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.943 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -68.33 -52.03 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.885 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.51 -99.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.805 -0.712 . . . . 70.22 112.52 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -142.88 134.3 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 44.41 111.113 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 95' ' ' PHE . 66.2 mt -109.86 149.58 29.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 62.23 110.892 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -103.2 -27.42 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 154.7 26.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 62.15 110.918 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.35 129.48 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.31 111.152 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.99 157.35 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 72.13 111.125 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.77 149.5 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.33 124.05 38.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.869 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -117.56 149.76 40.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.917 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -94.44 169.34 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 44.31 110.867 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -24.57 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.11 110.845 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.84 -22.3 62.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.899 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.49 25.81 9.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 73.11 112.523 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -134.56 152.72 51.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 73.14 110.866 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.7 t -51.81 128.93 25.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.878 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.74 -25.26 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 63.52 110.898 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.78 -1.01 7.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 44.22 112.427 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 80' ' ' SER . 11.7 p -142.56 142.07 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 60.12 111.145 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -124.61 169.84 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 63.24 111.051 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.03 125.4 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 53.11 110.807 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.703 ' CG1' HD12 ' A' ' 91' ' ' ILE . 1.3 m -140.28 142.13 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 51.4 111.117 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -95.1 126.98 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 71.42 110.812 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 101' ' ' LEU . 13.1 m-85 -93.52 139.42 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 53.34 110.823 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.82 -24.97 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 71.4 110.88 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.2 142.07 47.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 64.3 110.948 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.26 62.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.12 110.893 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -63.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 65.52 111.118 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.37 -34.02 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 61.12 110.842 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.75 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -68.53 -45.77 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 53.35 111.134 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -60.64 -49.5 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.874 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.98 -41.17 97.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.913 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.43 -62.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 63.44 111.102 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -31.74 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.906 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -77.23 -29.76 54.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.951 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -89.65 -12.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 61.32 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.6 m-30 -103.89 -42.43 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.941 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -50.77 112.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.811 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 2.64 31.04 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 61.43 112.51 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' B' ' 116' ' ' ALA . 54.1 t -83.15 112.64 40.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 70.31 111.079 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 132.16 22.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.653 2.235 . . . . 64.31 112.352 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.867 HD11 HG22 ' B' ' 112' ' ' VAL . 0.4 OUTLIER -132.85 98.22 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.903 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.9 t0 54.3 38.04 28.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 65.44 110.85 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.98 21.04 51.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.4 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -140.9 95.5 7.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 73.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 115.77 4.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 74.42 112.354 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.8 mtp -60.1 147.39 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.0 107.63 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 61.34 110.843 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.439 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.0 mp -109.27 140.61 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 75.51 111.172 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.69 127.38 48.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.873 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.646 HD22 ' N ' ' A' ' 150' ' ' VAL . 1.0 OUTLIER -86.97 117.08 25.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.957 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.646 ' N ' HD22 ' A' ' 149' ' ' LEU . 55.6 t -117.78 120.73 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.108 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -112.58 93.85 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 53.24 111.111 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.3 m -134.13 92.22 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 62.21 110.913 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -170.56 170.45 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.54 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.15 -38.87 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 55.34 111.122 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.1 t70 56.04 47.93 18.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.89 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.7 pp -87.05 -26.64 23.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 53.5 111.001 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.3 -32.44 71.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.945 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -117.79 112.78 20.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.851 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -128.25 163.03 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 74.51 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -128.9 156.11 44.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.3 110.851 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -105.32 156.57 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -76.43 106.64 8.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 73.14 110.871 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.49 0.494 . . . . 70.24 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 145.48 57.25 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.683 2.255 . . . . 74.12 112.416 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 2.6 tp -171.41 127.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 72.43 110.932 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.44 23.3 20.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 35.01 112.528 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.0 t -72.78 140.04 47.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 61.32 110.837 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.98 51.28 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 53.12 110.779 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 89.3 m -105.89 177.64 4.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 22.12 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -75.46 -27.21 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.9 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.1 t -175.54 175.99 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 73.12 111.114 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 149.35 38.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.854 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.688 ' O ' HG23 ' B' ' 112' ' ' VAL . 60.1 t90 -54.16 -28.32 39.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 74.02 110.905 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -71.23 -31.92 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 63.2 111.033 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.79 -58.89 5.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 62.11 110.824 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -51.01 -34.07 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.841 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.867 HG22 HD11 ' A' ' 140' ' ' LEU . 92.1 t -67.58 -60.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.24 111.14 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -57.26 -24.79 57.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.49 -46.1 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 62.35 110.82 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.9 72.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 43.51 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -80.8 -46.45 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 65.11 111.123 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.03 61.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.152 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -60.05 -26.12 65.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.21 110.925 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -89.1 60.82 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 62.22 110.887 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.735 0.303 . . . . 70.33 110.829 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.08 152.0 44.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 74.42 111.06 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -101.07 -177.53 3.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 62.31 110.862 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.4 mtp -92.27 104.38 16.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 63.15 110.837 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 t -174.74 130.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.191 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.93 51.71 4.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 63.01 112.469 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.07 113.2 3.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 61.3 112.469 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -76.75 70.44 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 74.51 110.914 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -105.22 43.09 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 75.03 110.893 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.3 mtt -95.76 139.38 32.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 63.44 110.93 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.32 97.6 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 72.32 112.482 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -65.28 128.91 37.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 71.34 110.869 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.54 158.51 1.47 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.582 0.706 . . . . 72.24 110.858 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.79 -18.52 36.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 55.51 112.322 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.97 -28.66 65.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 73.02 110.847 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -52.81 -32.38 43.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -52.74 140.32 24.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 72.01 110.938 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -116.16 67.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 64.12 110.894 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 53.0 33.29 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 70.1 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -78.06 -35.11 49.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 52.11 110.849 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.92 10.95 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.32 110.951 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -117.05 158.58 23.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.942 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -116.99 65.85 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.843 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -100.68 -30.25 11.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 70.25 110.801 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.03 21.25 18.38 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.673 -0.775 . . . . 74.11 112.519 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.5 t -156.96 149.06 22.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.342 . . . . 71.11 110.886 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.77 -94.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 72.33 112.454 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.85 -50.38 0.89 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 71.33 112.52 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.64 -36.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 71.32 112.466 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.08 126.62 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.973 0.416 . . . . 64.31 110.93 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.26 80.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 74.32 112.55 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.903 HG12 HG22 ' A' ' 73' ' ' THR . 2.2 t -126.89 131.16 71.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 70.33 111.146 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -95.55 36.91 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 71.1 110.859 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.903 HG22 HG12 ' A' ' 71' ' ' VAL . 13.4 t -148.29 38.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.143 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.66 148.61 4.88 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 64.31 112.509 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.66 164.47 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 74.12 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -100.56 113.88 27.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.52 110.843 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.689 HD21 ' HB1' ' A' ' 128' ' ' ALA . 1.9 mm? -97.78 129.17 44.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.879 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 118' ' ' ALA . 48.5 tp -109.48 126.21 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.51 110.903 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.7 t -103.65 146.47 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.18 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 117' ' ' THR . 58.3 p -149.92 158.85 44.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.872 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 64.44 44.32 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.729 HD13 HG11 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -107.44 159.5 16.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 60.25 110.919 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.632 ' CG ' HD23 ' A' ' 140' ' ' LEU . 25.5 m-20 -55.25 177.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.835 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -93.13 -10.99 33.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.903 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.05 -17.02 66.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 64.12 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 82' ' ' LEU . 11.6 p -49.57 146.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 65.43 111.145 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.45 165.29 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 64.32 110.914 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.62 -60.03 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.888 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.91 76.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.11 111.097 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.871 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.917 HD12 HG22 ' A' ' 120' ' ' VAL . 44.7 pt -61.66 -28.98 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.34 111.11 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -60.79 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.51 110.95 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.4 -47.27 86.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 61.05 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.48 HD13 ' CG1' ' B' ' 112' ' ' VAL . 0.4 OUTLIER -51.42 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.897 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.711 ' CB ' HD11 ' A' ' 101' ' ' LEU . 11.4 m-85 -57.76 -29.36 64.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.886 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.42 70.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.092 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -30.08 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -69.98 -49.61 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 63.12 110.842 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.09 -106.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 63.23 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -129.91 143.55 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 70.33 111.158 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.711 HD11 ' CB ' ' A' ' 95' ' ' PHE . 38.6 mt -122.46 147.75 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -28.01 11.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.864 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -156.99 149.03 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 72.12 110.921 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.41 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -156.38 112.16 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 65.41 111.096 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.31 156.26 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 55.11 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.16 149.66 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 75.21 111.062 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.88 126.23 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 53.1 110.845 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.6 149.77 37.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.946 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -89.31 -176.84 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 55.31 110.908 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -65.2 -28.08 69.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 65.32 110.843 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -74.3 -22.34 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.885 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.32 33.22 5.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 73.24 112.507 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.8 mmt-85 -134.34 154.63 51.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 54.23 110.924 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -52.0 120.95 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 41.43 110.816 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.98 -27.8 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 71.32 110.934 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.43 -11.03 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.788 -0.72 . . . . 71.3 112.504 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 80' ' ' SER . 52.3 p -140.72 141.84 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 52.35 111.119 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -121.76 166.3 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 64.32 111.124 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -127.43 131.5 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.917 HG22 HD12 ' A' ' 91' ' ' ILE . 2.3 t -141.45 125.03 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 74.2 111.081 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -95.19 119.44 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.817 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -90.1 145.33 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 62.02 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -79.87 -15.73 56.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 52.25 110.909 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.71 136.38 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 74.32 110.875 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -69.67 -31.22 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.881 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.02 -64.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.04 111.085 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.68 -34.53 59.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 61.42 110.777 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.689 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -68.73 -60.17 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 52.32 111.08 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.85 HD23 HD22 ' A' ' 149' ' ' LEU . 0.9 OUTLIER -47.75 -51.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 65.44 110.943 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.4 -43.16 98.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 60.43 110.882 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.7 -61.66 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 31.22 111.128 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 77' ' ' LEU . 1.3 ptt? -59.79 -29.64 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.913 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -74.46 -30.19 61.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -17.29 26.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.975 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.5 m-30 -96.22 -43.91 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.913 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -49.64 112.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 72.1 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.24 3.24 29.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 53.32 112.486 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' B' ' 116' ' ' ALA . 52.8 t -85.02 112.75 45.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 72.25 111.135 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 129.42 17.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 54.25 112.304 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.632 HD23 ' CG ' ' A' ' 83' ' ' ASP . 6.2 tp -125.08 97.94 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.25 33.96 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 53.2 110.928 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.43 19.75 31.71 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.652 -0.785 . . . . 41.32 112.431 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -141.11 98.66 6.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 70.32 110.9 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.23 4.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.252 . . . . 64.11 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -62.96 143.08 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.863 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -132.38 108.27 9.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.859 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.64 144.53 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 74.52 111.152 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -133.98 144.42 48.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 71.31 110.862 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.85 HD22 HD23 ' A' ' 129' ' ' LEU . 1.0 OUTLIER -95.15 130.61 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 61.42 110.915 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.6 119.55 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.12 111.137 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -93.46 90.03 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 53.12 111.081 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 94.4 p -158.05 126.92 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.845 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.0 148.71 48.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 72.15 110.887 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.45 -57.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.33 111.122 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -174.54 101.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.769 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.1 -4.55 58.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 72.3 110.869 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -95.98 28.29 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 64.34 110.919 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -66.3 -33.92 76.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.853 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -62.08 125.97 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.896 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -69.01 160.42 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 62.41 110.842 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -167.48 160.55 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 53.43 110.84 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -142.94 118.18 10.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 64.44 110.867 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 11.3 t60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 62.12 110.839 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 121.43 0.461 . . . . 73.42 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -17.11 38.1 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.673 2.248 . . . . 72.32 112.404 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mp -91.42 62.93 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.921 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.28 -113.82 0.83 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.678 -0.773 . . . . 64.54 112.45 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 24.5 m -63.4 126.44 27.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.933 0.397 . . . . 72.45 110.916 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 97.9 p -86.19 112.97 21.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 72.01 110.863 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 54.1 t -81.93 99.05 8.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 70.55 110.863 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 -171.76 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 74.15 110.916 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.7 t -55.52 175.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 63.43 111.191 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.7 m -63.26 -178.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 61.31 110.857 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.554 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 64.2 t90 -83.4 -25.98 30.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.918 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.51 -22.76 50.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 53.15 111.118 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -56.86 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.88 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -50.06 -49.0 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 64.5 110.815 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.48 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.3 p -66.8 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 45.25 111.174 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -66.4 -40.33 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 50.44 110.816 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.54 -28.69 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.91 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.68 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 72.12 111.115 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -79.13 -40.46 30.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.54 111.095 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.6 -41.26 61.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 63.3 111.121 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -76.5 -25.66 54.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 72.11 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.5 mtt-85 -89.04 65.24 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 64.3 110.839 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.839 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.6 mmt . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.785 0.326 . . . . 73.03 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.24 163.62 36.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.113 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 p -148.51 160.82 42.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.856 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.43 145.32 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 64.52 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 t -112.48 138.08 49.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 75.2 111.189 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.83 -113.66 0.58 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 65.01 112.497 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.2 -116.67 0.73 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 73.21 112.504 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 58.33 47.39 14.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 32.23 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -82.86 136.32 34.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 51.33 110.929 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.0 tpt -133.56 90.69 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.882 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.04 166.38 12.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 53.53 112.53 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -88.75 141.72 28.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 74.44 110.897 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.53 160.43 69.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 72.13 110.908 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -15.59 37.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.736 2.29 . . . . 73.23 112.354 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -77.4 -32.05 54.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 50.1 110.887 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -99.63 22.94 10.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 73.4 110.878 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -12.68 60.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.23 110.928 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -96.75 133.17 41.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.913 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -143.58 38.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.922 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -88.11 -27.95 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.906 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -83.15 5.25 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.965 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -51.32 158.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 71.41 110.902 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -134.45 -176.06 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.849 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.8 p -101.84 64.28 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 64.2 110.873 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.23 68.27 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 63.32 112.52 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.4 t -140.1 158.96 43.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.875 0.369 . . . . 64.23 110.909 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.14 123.62 0.69 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 43.21 112.468 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.09 20.06 5.99 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 71.24 112.472 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.57 57.69 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.793 -0.718 . . . . 63.31 112.525 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 151' ' ' ALA . 5.5 pm0 -108.84 145.34 35.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.352 . . . . 71.22 110.872 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.2 77.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 63.03 112.46 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.826 HG12 HG22 ' A' ' 73' ' ' THR . 4.6 t -134.25 134.37 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 75.13 111.091 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.43 49.2 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 72.24 110.862 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.826 HG22 HG12 ' A' ' 71' ' ' VAL . 12.4 t -146.66 15.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 71.3 111.138 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.23 164.15 10.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 72.23 112.565 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.58 167.42 21.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 72.43 111.086 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -104.89 113.53 27.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 61.4 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.832 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -93.59 140.31 29.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 70.33 110.874 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.06 109.38 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.929 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 71.32 111.147 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.471 ' HA ' HG22 ' A' ' 117' ' ' THR . 50.5 m -146.39 158.52 43.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 61.32 110.858 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.77 44.95 4.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 72.53 110.922 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -106.95 161.68 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.895 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.81 177.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 63.35 110.866 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -96.88 5.98 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.54 110.838 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.95 -4.81 44.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 44.31 112.535 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.842 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 13.8 t -51.54 147.76 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.342 . . . . 53.13 111.146 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.34 160.21 43.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 70.41 110.893 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -56.04 10.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.902 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.35 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.14 111.153 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -54.49 45.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.872 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.85 HD12 HG22 ' A' ' 120' ' ' VAL . 32.7 pt -67.29 -31.39 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.149 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -61.65 -61.38 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 54.14 110.947 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.0 -47.62 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.23 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.53 110.891 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.743 ' HB2' HD11 ' A' ' 101' ' ' LEU . 12.6 m-85 -59.52 -27.6 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.88 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.3 71.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.42 111.078 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.73 -30.58 56.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 52.35 110.877 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -68.74 -51.05 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.823 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.56 -100.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 73.1 112.426 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -134.7 143.75 47.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 64.41 111.128 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' A' ' 95' ' ' PHE . 43.0 mt -120.23 144.65 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 73.2 110.913 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -99.7 -27.01 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 54.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 157.85 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.847 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.444 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -156.23 131.76 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 65.51 111.088 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.55 154.45 42.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 34.43 111.08 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -131.77 139.88 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 73.15 111.101 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.516 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -80.33 131.78 35.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 60.52 110.971 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -126.71 149.03 49.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.23 -0.441 . . . . 63.02 110.969 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.456 ' OD2' HD23 ' A' ' 115' ' ' LEU . 2.2 m-20 -78.28 -173.31 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 73.34 110.867 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.0 ptt-85 -74.82 -19.14 60.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 75.14 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.9 m -86.56 -22.46 26.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 72.22 110.858 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.16 50.0 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.714 . . . . 63.44 112.479 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -145.36 151.05 37.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 73.25 110.88 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.53 129.13 24.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 43.3 110.855 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 107' ' ' ASP . 5.5 mt -73.84 -20.91 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 72.01 110.918 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.06 -15.83 6.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.671 -0.776 . . . . 71.43 112.56 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 80' ' ' SER . 35.4 p -137.14 141.91 42.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 64.44 111.16 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.569 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -126.82 168.12 14.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 70.23 111.073 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.29 125.64 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 44.11 110.867 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.85 HG22 HD12 ' A' ' 91' ' ' ILE . 3.1 t -128.13 131.2 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 62.11 111.102 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -96.59 114.18 25.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.54 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.3 m-85 -86.99 140.82 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 65.52 110.91 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.92 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 63.22 110.833 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 146.07 49.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -74.68 -35.4 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 73.53 110.824 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.98 -63.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 75.52 111.149 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.11 -28.08 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 62.45 110.912 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.832 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.59 -45.68 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.2 tm? -68.62 -44.51 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.01 110.927 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -64.53 -45.27 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.913 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.86 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.181 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -34.28 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.859 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -78.12 -27.68 48.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 72.11 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -10.97 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.2 110.94 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.87 -42.42 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.915 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -50.94 112.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 74.32 110.93 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.68 2.87 34.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 63.13 112.515 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' B' ' 116' ' ' ALA . 54.1 t -85.14 112.81 46.24 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 121.597 0.713 . . . . 62.43 111.115 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 129.91 18.38 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.737 2.291 . . . . 52.14 112.276 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.491 HD13 HG22 ' B' ' 112' ' ' VAL . 9.8 tp -125.4 97.92 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.846 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.3 t70 51.75 35.33 14.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.822 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.21 20.13 33.81 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 34.31 112.498 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -141.21 95.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.571 0.701 . . . . 62.35 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 116.12 4.4 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.684 2.256 . . . . 75.05 112.4 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.8 mtp -64.37 149.01 49.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 75.3 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -138.44 107.53 6.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.89 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 147' ' ' ILE . 5.2 mp -106.55 132.52 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 73.02 111.169 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.87 115.94 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.755 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.5 tt -76.89 127.14 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.933 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.5 t -115.62 124.78 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 71.41 111.09 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 69' ' ' GLU . . . -96.04 99.96 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 64.23 111.12 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.0 t -169.22 144.08 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 73.13 110.865 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -123.69 147.89 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 65.34 110.929 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.9 mt -117.08 -22.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 51.12 111.129 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.34 81.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.908 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 92.0 mt -86.12 -42.83 13.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 61.21 110.964 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -73.29 -37.27 66.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.842 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -53.8 125.38 18.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 71.42 110.845 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -127.89 149.13 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -127.04 70.84 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 74.21 110.841 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -140.35 148.51 41.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 65.41 110.846 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -89.61 121.29 31.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.829 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 73.23 110.867 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.432 0.462 . . . . 52.0 112.43 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 170.56 16.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.632 2.221 . . . . 71.04 112.322 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.401 ' N ' HD12 ' B' ' 100' ' ' LEU . 5.9 mp -113.39 167.05 10.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.964 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -152.62 128.72 2.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 72.33 112.576 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 46.8 p -175.69 147.14 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.929 0.395 . . . . 71.15 110.856 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.3 p -175.8 158.13 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 63.54 110.875 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 7.2 t -63.81 -41.85 97.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.847 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.0 -170.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.884 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -56.76 170.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 74.3 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 35.1 t -61.3 145.64 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.856 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.842 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 66.7 t90 -54.33 -28.05 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.936 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.11 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 65.14 111.086 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -54.22 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 54.22 110.898 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -52.03 -38.82 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.812 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 108' ' ' TRP . 72.3 t -70.18 -56.1 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.12 111.187 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -54.0 -32.92 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 64.11 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.79 -41.65 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.24 111.157 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.591 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -83.22 -47.08 11.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.09 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.39 -34.58 48.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 72.45 111.093 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -57.87 -31.61 66.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 73.12 110.895 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -83.87 60.97 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 73.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 61.03 110.878 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.76 0.314 . . . . 73.24 110.844 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.1 166.32 18.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.22 111.091 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -104.51 -67.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.834 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.2 mtp 62.75 38.16 12.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 74.3 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.5 m -120.58 110.15 16.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 71.51 111.135 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.06 -162.07 10.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 62.11 112.462 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.37 130.08 1.98 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 74.12 112.506 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -117.62 72.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 70.02 110.893 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -99.48 117.3 33.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.85 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -140.35 179.71 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 72.33 110.895 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.49 -151.59 5.5 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 73.15 112.484 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -62.47 129.25 39.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 63.3 110.893 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.24 160.46 42.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.584 0.707 . . . . 73.34 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -21.27 34.25 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.72 2.28 . . . . 61.34 112.354 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -52.51 -30.07 28.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 71.43 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -57.06 -28.9 62.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.4 110.915 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -72.72 -175.87 1.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.853 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -107.08 149.12 27.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.2 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -127.27 38.78 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 71.33 110.829 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -79.76 -24.1 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 70.2 110.888 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.26 16.48 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 63.1 110.831 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -52.81 167.97 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 52.54 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.634 ' HB3' HG21 ' A' ' 117' ' ' THR . 2.0 t70 -109.78 165.8 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 70.55 110.894 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.9 m -98.77 -73.56 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 70.4 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.99 146.04 10.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 54.01 112.477 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 t -111.07 168.05 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 54.12 110.882 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.22 -157.25 29.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 74.3 112.515 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.12 -142.44 4.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 53.22 112.506 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 161.46 -34.67 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.695 -0.764 . . . . 60.25 112.441 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -65.91 -169.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 63.34 110.864 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.18 82.32 0.13 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 61.11 112.517 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.91 HG12 HG22 ' A' ' 73' ' ' THR . 5.4 t -111.13 118.83 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 74.32 111.08 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -90.0 54.08 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 52.35 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.91 HG22 HG12 ' A' ' 71' ' ' VAL . 13.5 t -164.29 26.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 72.34 111.098 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.13 153.95 6.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 54.44 112.512 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.07 177.02 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 51.04 111.016 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -108.94 113.99 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.906 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 149' ' ' LEU . 4.3 mm? -98.44 121.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.92 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.92 114.56 28.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 55.53 110.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.448 ' CG1' HD23 ' A' ' 82' ' ' LEU . 45.6 t -94.46 137.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 74.01 111.163 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 117' ' ' THR . 54.6 p -141.14 158.2 44.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 60.22 110.825 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.72 49.5 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.21 110.894 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -111.89 160.73 17.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.961 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.558 ' CG ' HD23 ' A' ' 140' ' ' LEU . 66.6 m-20 -53.43 174.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.893 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -92.39 8.59 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.918 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.97 -13.9 18.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.756 -0.735 . . . . 75.03 112.517 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.766 HG11 HD13 ' A' ' 82' ' ' LEU . 7.7 p -50.33 148.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 73.55 111.103 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.71 166.78 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.875 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -58.76 5.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.921 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.71 77.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.02 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.0 -61.37 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.49 HD12 ' HB ' ' A' ' 120' ' ' VAL . 38.7 pt -59.98 -30.58 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 63.12 111.126 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.43 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -59.8 -61.13 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 60.34 110.926 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.61 -47.84 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.815 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.2 OUTLIER -51.2 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.968 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.733 ' HB2' HD11 ' A' ' 101' ' ' LEU . 30.7 m-85 -58.41 -29.68 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 74.34 110.881 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.96 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 70.1 111.076 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -54.42 -31.42 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.03 110.939 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -67.15 -51.48 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 62.5 110.887 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.54 -100.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.716 . . . . 72.34 112.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.5 m -143.05 132.64 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 63.22 111.143 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 95' ' ' PHE . 82.3 mt -108.47 158.21 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 63.23 110.947 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -110.19 -35.34 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 151.1 32.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.99 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -155.7 128.59 8.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 73.51 111.109 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.18 157.2 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 65.44 111.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.52 152.69 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.13 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.31 120.52 40.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 61.35 110.819 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -112.78 157.48 21.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 72.31 110.904 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -98.66 -171.6 2.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 75.4 110.88 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -68.95 -27.1 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.903 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -72.84 -22.29 60.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.853 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.94 39.97 4.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 73.23 112.521 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -144.0 158.21 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 75.21 110.862 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 t -52.11 117.4 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 75.54 110.814 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.2 -25.6 59.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.958 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 131.91 -8.16 5.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 71.51 112.466 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.634 HG21 ' HB3' ' A' ' 62' ' ' ASP . 59.4 p -143.57 142.08 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 73.34 111.165 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -117.09 169.72 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 53.31 111.081 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -139.86 108.47 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 72.22 110.88 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -124.4 131.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 70.42 111.19 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.56 119.24 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.836 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.98 151.11 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 72.34 110.886 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.24 -19.03 51.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.24 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 145.07 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 72.43 110.865 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.465 HH21 HD23 ' A' ' 129' ' ' LEU . 11.4 tpt180 -70.12 -36.78 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.849 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.87 -64.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 70.11 111.092 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.94 -31.64 63.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.864 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.671 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -63.12 -41.67 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.149 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.465 HD23 HH21 ' A' ' 125' ' ' ARG . 2.3 tm? -71.36 -48.37 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.924 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -62.88 -42.38 99.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 51.42 110.824 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.46 -61.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 71.35 111.092 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -32.53 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 43.44 110.876 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -80.56 -28.01 37.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.93 -10.18 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 61.55 110.836 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' A' ' 94' ' ' LEU . 3.3 m-30 -108.88 -43.36 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.948 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -49.56 112.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 65.51 110.925 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 106.73 4.5 36.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 70.11 112.475 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' B' ' 116' ' ' ALA . 51.6 t -86.26 112.33 45.19 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.676 0.75 . . . . 70.44 111.088 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 129.55 17.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.686 2.257 . . . . 74.22 112.365 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.558 HD23 ' CG ' ' A' ' 83' ' ' ASP . 6.8 tp -124.5 97.98 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.52 110.898 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 52.41 33.72 13.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.854 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.02 19.82 29.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 53.44 112.49 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.15 97.94 6.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 75.4 110.93 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 74.14 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.29 144.04 56.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 74.33 110.835 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -133.82 111.33 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 63.44 110.841 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.562 ' CG2' HD12 ' A' ' 77' ' ' LEU . 4.8 mp -105.73 137.42 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 70.41 111.084 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.49 115.78 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.85 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.684 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.3 tm? -75.57 114.42 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.93 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.56 ' N ' HD22 ' A' ' 149' ' ' LEU . 97.5 t -107.4 139.28 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 71.11 111.141 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -113.32 93.64 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.115 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.3 t -140.51 120.39 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 70.5 110.871 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -160.4 148.9 16.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 54.23 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 65.0 mt -96.35 -40.11 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.35 111.112 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -132.29 124.07 28.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 55.5 110.887 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 156' ' ' LEU . 4.2 pp -89.24 10.16 23.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.874 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -110.2 26.15 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.844 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -72.02 -37.02 69.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 64.05 110.909 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -88.66 78.03 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 63.34 110.902 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -52.07 -32.64 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.22 110.888 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.6 120.99 12.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.831 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -115.26 -32.59 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 61.4 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 24.2 p80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.855 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 CA-C-O 121.369 0.427 . . . . 52.13 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 176.06 7.29 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.732 2.288 . . . . 63.14 112.363 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tp -167.03 118.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.92 29.42 34.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.802 -0.713 . . . . 45.52 112.459 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -111.94 125.55 54.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 55.21 110.897 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 42.9 m -135.9 111.71 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.54 110.829 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 7.3 t -126.7 52.82 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 64.42 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -172.1 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.867 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.8 t -56.56 176.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.169 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 66.0 m -79.62 155.81 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.857 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.464 ' CH2' HG23 ' A' ' 86' ' ' VAL . 61.9 t90 -63.36 -22.08 66.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 75.2 110.962 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -81.94 -22.69 36.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 75.02 111.097 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.68 -57.16 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 54.12 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.46 -49.5 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.856 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.5 p -67.86 -36.45 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 71.44 111.14 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -58.35 -41.95 85.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.937 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.2 -41.94 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 55.5 110.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.8 73.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 71.34 111.113 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -80.8 -45.43 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 31.41 111.121 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.83 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 45.21 111.095 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -69.01 -25.96 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 71.54 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 -89.83 55.36 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 65.21 110.873 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.864 -179.877 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 mmm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.765 0.317 . . . . 71.24 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.31 143.24 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 71.1 111.045 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 99.6 p -158.76 173.89 15.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 75.32 110.863 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.35 165.6 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.892 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -163.34 161.96 24.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 64.14 111.069 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.43 143.16 6.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 70.22 112.492 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.28 121.9 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 73.21 112.474 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -162.37 104.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 72.34 110.917 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -91.11 78.36 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.903 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 59.9 mtm -75.83 105.03 6.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.47 122.16 0.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.808 -0.711 . . . . 73.3 112.565 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -103.77 113.57 27.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 74.43 110.92 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.27 161.06 50.18 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 75.14 110.842 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -7.97 22.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.646 2.231 . . . . 42.25 112.282 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -94.07 18.87 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 71.54 110.891 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.29 23.07 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.894 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -67.0 176.8 1.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 73.01 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.38 178.28 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.943 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -119.05 26.83 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.855 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -77.04 -24.99 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -87.5 10.9 16.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 71.11 110.916 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -98.3 171.65 8.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.933 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -91.06 163.67 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 62.12 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -53.83 -48.5 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.896 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.19 72.04 1.29 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.692 -0.766 . . . . 72.11 112.52 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.5 t 52.74 48.76 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 74.22 110.877 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -147.99 123.82 1.78 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 54.1 112.47 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.48 81.85 1.54 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 75.33 112.556 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.1 100.1 1.75 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 40.44 112.464 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.74 138.8 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 72.13 110.902 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.59 -88.42 1.93 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.796 -0.716 . . . . 71.11 112.451 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.743 HG12 HG22 ' A' ' 73' ' ' THR . 3.5 t -138.59 149.58 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 73.12 111.143 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -102.03 31.48 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.25 110.886 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.743 HG22 HG12 ' A' ' 71' ' ' VAL . 11.1 t -147.01 42.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 73.12 111.138 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.59 138.15 2.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 65.55 112.519 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.58 169.35 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 72.13 111.106 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -110.06 113.26 25.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.921 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.826 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.9 mm? -92.87 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 74.41 110.945 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 tp -120.69 110.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.939 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.0 t -90.54 144.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 54.21 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.474 ' CB ' HG22 ' A' ' 117' ' ' THR . 87.4 p -149.02 156.6 42.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.791 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 64.51 47.04 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 72.32 110.959 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.596 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -107.37 163.48 13.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 53.34 110.886 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.549 ' CG ' HD23 ' A' ' 140' ' ' LEU . 80.9 m-20 -54.2 176.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.837 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -96.11 6.4 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.78 -1.06 36.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 75.12 112.495 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.83 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 15.7 t -53.89 147.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 74.1 111.14 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.36 158.9 44.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 62.22 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -57.47 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 53.13 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.61 78.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 53.42 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -56.81 17.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.894 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.882 HD12 HG22 ' A' ' 120' ' ' VAL . 43.2 pt -66.18 -29.83 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.33 111.133 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.66 -60.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.923 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.24 -47.1 87.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.922 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.432 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.3 OUTLIER -50.6 -66.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.936 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.69 ' CB ' HD11 ' A' ' 101' ' ' LEU . 11.2 m-85 -59.26 -29.64 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.83 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.78 71.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 54.42 111.159 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.82 -32.18 60.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -67.17 -50.42 61.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.887 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.86 -103.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 74.43 112.486 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -130.81 146.93 52.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 75.41 111.18 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 95' ' ' PHE . 42.2 mt -125.93 142.56 51.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 72.02 110.95 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.46 -28.42 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.87 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.539 ' NZ ' ' HB2' ' A' ' 105' ' ' ALA . 16.9 tptp -163.39 155.45 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 72.03 110.937 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -154.81 115.65 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 62.02 111.134 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.539 ' HB2' ' NZ ' ' A' ' 103' ' ' LYS . . . -133.57 157.57 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 63.22 111.049 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.7 p -131.62 145.61 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.141 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.54 132.26 34.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 65.44 110.872 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -120.12 145.73 46.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 71.22 110.97 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -86.77 179.93 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 65.1 110.896 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -63.84 -25.72 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 72.31 110.901 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 t -77.43 -22.45 51.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 65.24 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.76 45.41 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.658 -0.782 . . . . 34.21 112.456 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.84 158.41 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 75.42 110.914 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 m -52.21 113.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 53.24 110.882 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.4 -30.12 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 70.32 110.938 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.39 -15.6 3.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.679 -0.772 . . . . 22.02 112.43 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.474 HG22 ' CB ' ' A' ' 80' ' ' SER . 69.4 p -139.88 141.4 36.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 72.04 111.139 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.429 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -120.51 167.9 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 64.22 111.146 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -132.39 123.98 27.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 64.21 110.875 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.882 HG22 HD12 ' A' ' 91' ' ' ILE . 2.3 t -133.03 127.5 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 74.22 111.134 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 8.9 m80 -95.75 118.58 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 72.25 110.825 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.611 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.0 m-85 -87.7 136.46 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.832 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.15 -15.6 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 74.15 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.05 145.12 35.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.856 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -31.85 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.879 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.19 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.45 111.024 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.21 -24.89 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 75.31 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.826 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -69.62 -50.27 46.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.03 111.076 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.5 tm? -67.24 -42.17 84.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 70.22 110.927 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -65.0 -44.8 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 75.05 110.899 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.98 -61.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 65.21 111.106 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -34.48 50.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 73.51 110.879 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.96 -27.8 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 73.51 110.943 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -10.77 45.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 70.34 110.947 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.52 -43.87 4.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.931 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -49.9 112.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.889 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.81 3.49 34.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 63.1 112.477 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.8 t -86.14 112.63 47.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.489 0.662 . . . . 73.43 111.13 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 129.68 18.03 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.65 2.234 . . . . 74.42 112.384 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 83' ' ' ASP . 7.9 tp -124.06 97.69 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 64.24 110.887 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 51.72 34.29 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 71.43 110.902 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.88 19.7 30.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 71.13 112.512 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.19 96.17 7.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.681 0.753 . . . . 74.41 110.876 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.251 . . . . 73.22 112.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mtp -65.14 145.98 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.878 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -134.99 110.1 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.912 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -107.45 134.97 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.12 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 115.69 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 51.22 110.876 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.763 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.4 tt -76.67 126.78 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.914 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.0 t -114.55 126.04 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 55.51 111.157 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -95.7 88.96 5.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 63.32 111.11 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 27.3 t -139.47 89.38 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.873 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.607 ' O ' HD13 ' A' ' 154' ' ' ILE . 3.3 mt-30 -162.94 160.81 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.05 110.946 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 153' ' ' GLN . 28.2 mm -129.7 -43.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 74.22 111.088 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -173.68 144.54 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.879 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.491 HD11 HG23 ' A' ' 73' ' ' THR . 1.4 mp -89.19 -8.05 54.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.32 110.855 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.9 26.67 3.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 65.22 110.863 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -84.74 60.53 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.844 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -158.42 111.43 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.82 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -55.64 123.84 15.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.863 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -141.78 162.16 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.847 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -83.6 151.23 25.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.837 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 69.5 t60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.866 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 121.404 0.447 . . . . 73.22 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 176.98 6.08 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.637 2.225 . . . . 60.24 112.322 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.583 ' H ' HD23 ' B' ' 100' ' ' LEU . 2.2 pt? -124.46 160.01 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 53.23 110.908 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -105.87 -116.28 4.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.796 -0.716 . . . . 62.12 112.494 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 11.2 t -73.08 135.0 44.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 41.45 110.826 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -87.37 123.06 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.789 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 22.4 m -97.71 178.08 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 72.41 110.921 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -19.59 43.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.4 t -160.5 174.52 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 74.52 111.095 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 72.1 m -70.54 152.54 43.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.912 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.83 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 56.8 t90 -60.03 -25.08 65.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.1 110.905 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.26 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 72.04 111.103 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.96 -56.97 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.805 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -49.49 -49.58 45.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.425 HG11 HD13 ' A' ' 94' ' ' LEU . 6.2 p -67.77 -36.92 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 52.44 111.122 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -58.22 -41.61 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.834 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -76.49 -41.75 45.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.49 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 64.43 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.73 -46.06 16.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.164 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.96 -38.81 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.32 111.158 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -59.01 -34.82 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.881 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -84.34 62.1 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 63.44 110.882 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.85 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 52.55 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.97 168.3 18.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 52.13 111.163 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -108.24 -47.8 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 45.13 110.904 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.9 mmm -53.11 135.96 36.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 62.03 110.894 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.5 t -120.15 148.78 43.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.42 111.092 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.01 168.69 2.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 63.44 112.455 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.48 59.04 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.768 -0.73 . . . . 34.25 112.462 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -119.77 72.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.707 0.289 . . . . 63.2 110.927 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -121.1 159.93 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.858 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.17 167.21 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 72.21 110.903 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.42 -134.54 1.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.725 . . . . 63.44 112.499 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -81.09 174.09 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.296 . . . . 70.51 110.933 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.65 160.55 1.36 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.646 0.736 . . . . 71.54 110.805 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -16.75 38.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.71 2.273 . . . . 70.11 112.395 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -94.33 18.95 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 55.31 110.825 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -128.94 35.85 4.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 62.34 110.922 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -54.89 159.84 2.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.259 -0.428 . . . . 74.23 110.937 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -100.81 41.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -106.04 26.82 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.857 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -86.64 -23.88 25.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 61.45 110.866 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.34 16.18 10.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.926 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -53.9 168.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.9 t0 60.25 50.42 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 64.21 110.898 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 p -103.68 53.68 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 71.45 110.867 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' CYS . . . -102.19 85.62 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 61.11 112.537 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' GLY . 26.7 p 32.72 50.21 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 72.1 110.89 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 86.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.686 -0.768 . . . . 44.21 112.416 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.35 -78.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 75.35 112.468 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.42 75.06 0.12 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 32.42 112.436 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 151' ' ' ALA . 2.6 mp0 -91.11 126.68 36.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 74.31 110.807 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.03 61.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 42.54 112.508 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.595 HG12 HG22 ' A' ' 73' ' ' THR . 14.5 t -119.65 106.41 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 74.2 111.175 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.18 50.18 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.595 HG22 HG12 ' A' ' 71' ' ' VAL . 8.8 t -160.77 25.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.115 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.57 155.76 6.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 43.45 112.416 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.56 169.89 18.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 71.2 111.091 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -110.33 114.05 27.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.852 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.791 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -94.51 140.6 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.934 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 tp -120.79 110.82 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.02 110.964 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -90.55 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.13 111.157 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.497 ' HA ' HG22 ' A' ' 117' ' ' THR . 21.6 m -145.75 154.99 42.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.812 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 t30 65.21 44.78 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 72.1 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.604 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -107.49 156.75 18.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.909 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.499 ' O ' HG12 ' A' ' 86' ' ' VAL . 5.8 t70 -57.76 175.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 62.45 110.843 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.16 -26.99 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.03 110.894 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.76 65.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 52.53 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.604 HG11 HD13 ' A' ' 82' ' ' LEU . 7.4 p -51.24 145.6 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 71.43 111.137 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -149.98 167.09 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.15 110.833 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -60.06 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 62.35 110.916 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.99 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.51 111.07 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -58.98 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 55.35 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.034 HD12 HG22 ' A' ' 120' ' ' VAL . 46.9 pt -62.37 -29.0 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 50.11 111.179 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -60.68 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 71.11 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.35 -47.29 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.58 -65.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 52.33 110.916 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.726 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.3 m-85 -58.83 -27.95 65.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.932 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.65 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 72.42 111.129 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -53.53 -30.39 41.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 61.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -69.02 -51.77 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 61.4 110.89 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.21 -109.39 0.27 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.728 -0.749 . . . . 72.12 112.49 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.2 m -132.05 132.4 43.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 72.22 111.092 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 95' ' ' PHE . 51.6 mt -111.77 152.39 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.926 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -107.96 -32.4 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 72.11 110.9 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 6.1 tptt -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.885 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.571 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -155.99 120.77 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 73.24 111.12 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.75 45.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 70.3 111.028 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.59 140.7 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 70.44 111.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.0 135.16 36.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 64.55 110.806 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -125.66 148.25 49.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.941 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -80.58 173.28 12.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 64.43 110.883 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -56.77 -28.76 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 74.3 110.931 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -81.68 -22.29 37.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 71.23 110.928 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.15 47.29 1.6 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 74.2 112.444 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -137.16 147.18 45.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 72.34 110.882 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 m -51.88 109.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 63.3 110.904 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.2 mt -55.18 -26.71 40.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 74.04 110.893 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 -6.12 7.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 64.23 112.464 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 80' ' ' SER . 43.0 p -140.05 142.02 36.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 30.43 111.191 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -121.97 164.15 18.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 42.25 111.127 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -130.02 121.51 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 62.04 110.808 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 1.034 HG22 HD12 ' A' ' 91' ' ' ILE . 2.6 t -130.99 125.22 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.145 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 4.9 m80 -94.94 113.98 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.856 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.597 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.5 m-85 -82.6 149.1 27.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.92 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -78.01 -15.59 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 61.51 110.971 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 147.42 39.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 74.52 110.898 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -74.67 -35.19 62.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 72.31 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.65 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 53.12 111.173 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -53.45 -28.39 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.838 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.791 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.96 -44.03 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 70.31 111.086 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.1 tm? -68.4 -45.64 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.22 110.931 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -64.7 -45.54 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.935 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.96 -61.64 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 34.43 111.101 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.67 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 74.2 110.821 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -78.19 -27.34 47.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.84 -10.87 43.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 72.24 110.948 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -108.04 -44.15 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.915 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -49.99 112.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 75.01 110.894 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.28 3.63 35.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 63.31 112.518 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.3 t -86.31 112.48 46.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 72.3 111.03 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.19 20.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 44.13 112.386 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.532 HD13 HG22 ' B' ' 112' ' ' VAL . 9.4 tp -127.18 97.73 5.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 71.55 110.91 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.5 36.52 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.854 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.52 20.23 38.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.34 112.535 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 4.6 mmp_? -141.11 94.84 7.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 71.52 110.894 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 143' ' ' ARG . 53.8 Cg_endo -69.66 116.34 4.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.31 112.389 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.12 145.17 56.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 75.32 110.878 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -135.45 111.55 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.41 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 77' ' ' LEU . 4.8 mp -105.83 142.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 75.15 111.138 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.85 118.46 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.944 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.694 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.1 tm? -79.98 116.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 64.22 110.932 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.612 ' N ' HD22 ' A' ' 149' ' ' LEU . 45.8 t -106.79 126.57 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 65.45 111.109 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . . . -96.97 96.19 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 19.2 m -117.37 163.37 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 34.32 110.825 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -112.86 133.72 54.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 62.44 110.902 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.1 mm -108.01 -24.94 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 61.52 111.121 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -126.44 63.13 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.22 110.87 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.1 pp -86.54 -26.37 24.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.929 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.26 -31.96 34.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.84 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -131.74 97.77 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.849 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -88.86 140.7 29.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 73.34 110.865 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -105.92 98.69 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 71.24 110.829 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.4 58.18 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 70.34 110.853 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 59.98 45.76 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 71.23 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 53.0 t60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.866 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 121.449 0.472 . . . . 71.44 112.527 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -173.17 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.626 2.217 . . . . 73.32 112.326 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.57 -60.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.01 -103.53 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 71.03 112.47 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.3 t 59.31 50.24 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 71.42 110.872 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 76.1 p -126.26 37.53 4.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 54.55 110.849 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 26.7 m -123.0 -173.6 2.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 65.11 110.853 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -19.14 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 61.14 110.894 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.5 t -161.53 175.58 11.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 55.15 111.228 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 43.3 t -69.98 165.42 21.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 63.52 110.921 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.593 ' O ' HG23 ' B' ' 112' ' ' VAL . 66.8 t90 -68.8 -25.89 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.879 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -76.68 -33.35 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 34.44 111.077 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.39 -54.66 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.51 110.818 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -51.39 -39.1 56.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.904 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 108' ' ' TRP . 62.3 t -69.67 -46.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.112 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.591 ' HG3' HD12 ' A' ' 94' ' ' LEU . 58.6 mtm180 -58.17 -34.81 70.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 65.35 110.964 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -76.4 -47.27 23.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.936 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 71.1 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -79.63 -45.05 19.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 42.33 111.123 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.58 -49.25 62.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 64.54 111.092 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -61.3 -28.31 69.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 71.42 110.9 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ARG . . . . . 0.442 ' HD3' HG22 ' A' ' 138' ' ' VAL . 30.4 mtp85 -79.0 61.17 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.885 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 63.42 110.881 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.796 0.332 . . . . 75.32 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.41 -74.66 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 74.14 111.057 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.0 m 63.16 38.37 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 54.42 110.869 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' THR . 0.1 OUTLIER -77.98 148.56 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.2 110.906 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 43' ' ' MET . 5.6 p -154.99 178.64 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 63.51 111.135 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.59 -179.11 35.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 74.01 112.522 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.97 -169.89 33.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.68 -0.771 . . . . 63.1 112.466 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -167.52 123.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 74.32 110.917 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.38 -179.46 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.928 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.03 161.67 33.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 65.33 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.6 130.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.664 -0.779 . . . . 72.14 112.45 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -99.92 134.07 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 64.22 110.905 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.41 160.5 42.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 62.25 110.838 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.7 24.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 63.12 112.412 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -94.13 18.94 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 71.51 110.873 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -120.06 40.35 3.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -65.94 -179.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 64.42 110.926 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -109.41 26.42 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 65.24 110.888 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -134.24 25.25 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.895 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.99 -8.92 50.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 71.13 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.3 mt -85.7 8.63 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.943 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -112.09 143.08 43.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.862 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -139.27 25.28 2.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 72.22 110.879 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t 51.68 38.18 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 63.05 110.89 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.26 -83.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.794 -0.717 . . . . 60.33 112.515 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.0 t 63.29 61.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 43.42 110.898 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.93 148.39 4.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.76 . . . . 64.33 112.449 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.18 150.55 7.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.449 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.77 -94.92 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 72.43 112.484 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -53.62 127.1 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 72.31 110.898 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.9 102.17 2.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 61.33 112.511 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 72' ' ' GLU . 13.6 t -139.84 156.8 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 70.02 111.129 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' N ' HG12 ' A' ' 71' ' ' VAL . 13.8 mp0 -89.86 16.66 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.893 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' GLU . 3.4 t 36.48 59.29 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 71.13 111.211 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.71 162.55 11.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 72.51 112.489 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.63 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 52.5 111.054 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -111.47 113.61 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.2 110.912 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.797 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -96.99 122.05 39.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 63.42 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.92 116.72 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.44 110.867 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.439 ' CG1' HD23 ' A' ' 82' ' ' LEU . 44.7 t -95.63 137.15 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 53.21 111.159 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.707 ' HA ' HG22 ' A' ' 117' ' ' THR . 93.7 p -140.9 155.93 46.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 65.21 110.837 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 64.12 49.44 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 71.12 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.713 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -110.38 159.56 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.933 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -52.03 171.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.855 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -90.36 7.33 39.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.941 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.63 -14.27 22.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.655 -0.783 . . . . 61.4 112.502 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 82' ' ' LEU . 8.3 p -49.72 147.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 74.15 111.153 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -149.67 164.62 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 63.32 110.824 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -59.23 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 61.21 110.873 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.96 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.52 111.074 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 61.23 110.857 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.7 pt -61.43 -32.31 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.04 111.088 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.453 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -57.69 -60.99 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.52 110.867 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.66 -47.82 83.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.832 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.521 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.68 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 65.43 110.924 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.718 ' HB2' HD11 ' A' ' 101' ' ' LEU . 29.4 m-85 -59.4 -28.07 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 64.13 110.9 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -64.13 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.193 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -30.55 43.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.928 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -67.34 -52.4 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.05 110.838 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.48 -108.86 0.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.834 -0.698 . . . . 65.21 112.519 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -133.21 124.4 27.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 54.12 111.115 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 95' ' ' PHE . 52.6 mt -99.89 158.29 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.949 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -113.01 -36.23 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.858 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 143.5 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.932 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.453 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -149.71 121.39 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 70.1 111.112 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.14 44.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 72.3 111.123 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -125.26 151.61 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.21 111.119 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.536 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -91.25 124.07 35.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.858 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.03 147.55 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 71.41 110.953 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.406 ' OD2' HD23 ' A' ' 115' ' ' LEU . 2.1 m-20 -72.05 -174.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 64.25 110.835 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -70.5 -19.21 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 62.23 110.852 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.9 m -91.1 -22.57 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.13 110.926 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 104.1 48.75 1.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.69 -0.766 . . . . 65.31 112.485 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ptt-85 -138.66 151.11 46.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 73.11 110.893 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 m -50.79 122.91 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 54.33 110.893 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 107' ' ' ASP . 8.0 mt -72.09 -19.98 61.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 53.02 110.935 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.2 -13.52 8.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 52.32 112.553 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 80' ' ' SER . 81.5 p -139.68 141.82 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 53.35 111.072 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -115.46 169.25 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.147 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.08 107.91 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.826 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.655 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -126.34 127.1 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 54.55 111.146 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -95.54 122.87 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.572 ' CD1' HD23 ' A' ' 77' ' ' LEU . 4.8 m-85 -81.61 149.7 28.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.908 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -75.62 -18.51 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.919 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.22 144.05 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.846 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -33.51 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.2 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.19 -64.22 0.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 61.25 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.49 -26.2 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 70.43 110.837 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.797 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.88 -49.11 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 73.54 111.08 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.5 tm? -67.47 -42.06 83.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 71.33 110.924 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -65.78 -47.33 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.43 110.882 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.92 -61.1 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 72.13 111.082 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -77.42 -26.85 52.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.34 -12.71 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 72.51 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.7 m-30 -105.92 -44.02 4.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.902 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -50.0 111.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 64.43 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.44 7.31 32.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 64.13 112.521 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 135' ' ' TYR . 55.9 t -89.69 110.95 43.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 64.11 111.121 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.635 2.223 . . . . 72.2 112.337 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.461 HD13 HG22 ' B' ' 112' ' ' VAL . 6.9 tp -127.01 98.12 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.948 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.45 35.1 19.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 65.42 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.31 21.55 34.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 75.33 112.476 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.14 92.54 8.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.516 0.674 . . . . 73.22 110.793 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.91 4.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 44.21 112.345 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.418 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.9 mtp -66.32 145.23 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.02 110.927 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -133.96 109.16 8.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 71.23 110.924 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.418 HD11 ' HE3' ' A' ' 145' ' ' MET . 5.2 mp -106.03 135.2 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 75.5 111.133 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.85 115.6 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.966 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.734 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.1 tt -72.41 126.89 30.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 61.01 110.892 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 94.8 t -115.38 124.11 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.12 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -98.06 100.36 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 70.52 111.022 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.0 t -138.72 77.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 75.31 110.861 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -131.14 146.38 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 65.42 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 79.1 mt -110.6 -31.82 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.23 111.137 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 34.9 t70 58.08 49.42 11.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.9 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 156' ' ' LEU . 0.8 OUTLIER -89.01 -25.55 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 70.34 110.886 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -63.51 -27.38 69.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.977 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -121.61 87.11 2.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.853 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -60.21 161.18 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.04 110.844 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -102.36 59.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.868 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -158.6 135.21 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.805 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -64.14 143.53 57.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 74.5 110.832 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 70.51 110.919 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 121.437 0.465 . . . . 42.32 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 90.03 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.641 2.227 . . . . 72.04 112.381 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 35.3 mt -52.23 -30.46 27.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 63.21 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.47 93.02 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 71.42 112.404 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.9 t -86.57 81.33 8.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 73.15 110.914 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 11.3 m -62.15 107.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 63.31 110.858 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 81.5 m -145.54 162.87 36.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 55.41 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -17.57 58.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 71.04 110.879 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.9 t -170.25 169.5 7.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.281 -0.418 . . . . 73.32 111.166 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -68.24 148.14 51.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 71.33 110.85 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.662 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 49.0 t90 -55.04 -30.8 60.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 74.24 110.929 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -65.58 -23.02 66.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 63.52 111.123 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.36 -48.55 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 64.51 110.845 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -51.85 -49.71 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.927 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.461 HG22 HD13 ' A' ' 140' ' ' LEU . 13.8 t -65.11 -50.25 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 61.05 111.173 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -51.65 -42.64 62.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 71.1 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.65 -51.3 28.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 51.23 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.62 -39.46 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.33 111.138 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.21 -30.86 27.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 54.1 111.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.89 -46.87 82.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.14 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -57.3 -28.52 63.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 61.51 110.878 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.35 26.2 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.902 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.44 110.823 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.6 mmt . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.788 0.328 . . . . 74.13 110.938 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.96 148.69 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 63.12 111.061 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 t -169.21 162.79 10.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.896 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -129.22 151.98 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.55 110.897 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -159.07 145.81 17.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.211 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.65 153.46 7.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.803 -0.713 . . . . 43.11 112.525 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.45 105.59 1.76 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 64.01 112.511 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -98.81 81.24 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 75.03 110.899 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -92.05 156.33 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 61.11 110.881 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.9 mmt -106.6 168.18 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.92 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.42 141.6 3.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.814 -0.708 . . . . 53.32 112.543 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -110.02 125.27 52.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 72.12 110.872 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.51 158.53 1.45 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.52 0.676 . . . . 74.44 110.91 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -18.1 36.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.665 2.243 . . . . 52.24 112.324 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.81 -25.84 60.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 51.54 110.904 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -52.16 -30.6 27.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.953 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -58.37 177.2 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 74.25 110.922 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -141.98 160.5 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 71.44 110.857 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -124.4 36.99 4.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 61.05 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.19 -24.94 27.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.888 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.55 16.04 9.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.852 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -64.91 159.47 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.02 110.875 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -138.3 172.08 13.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 63.32 110.854 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 t -172.12 90.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 45.3 110.863 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -148.67 121.94 1.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 73.44 112.486 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.6 p -170.77 175.49 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 55.12 110.866 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.53 164.11 14.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 74.33 112.488 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.51 -152.36 7.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.793 -0.717 . . . . 62.1 112.502 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.52 34.32 2.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 62.01 112.478 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -154.22 118.62 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.39 . . . . 74.44 110.88 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -119.06 -102.22 2.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.664 -0.779 . . . . 55.42 112.422 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.522 HG12 ' H ' ' A' ' 73' ' ' THR . 4.1 t -138.67 140.24 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 71.53 111.072 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.42 -16.27 60.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 61.33 110.936 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.522 ' H ' HG12 ' A' ' 71' ' ' VAL . 4.6 t -115.81 59.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 71.45 111.188 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.88 142.2 3.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.815 -0.707 . . . . 61.25 112.473 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.37 171.66 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 63.34 111.124 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -111.77 113.6 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 72.51 110.912 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 149' ' ' LEU . 3.9 mm? -95.23 138.74 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.23 110.859 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.8 112.71 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.6 t -91.41 142.37 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 73.45 111.058 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.404 ' HA ' HG22 ' A' ' 117' ' ' THR . 83.2 p -146.0 156.72 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 73.55 110.866 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 64.11 46.41 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 61.03 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.679 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.12 159.77 16.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 70.3 110.92 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.23 177.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.883 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -92.71 -10.87 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.41 110.845 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.1 -16.51 67.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 61.24 112.493 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.679 HG11 HD13 ' A' ' 82' ' ' LEU . 11.5 p -50.36 145.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 72.25 111.11 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -149.57 166.17 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 55.01 110.778 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -60.6 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 72.4 110.833 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.75 75.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.2 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.57 -60.77 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.41 110.857 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.024 HD12 HG22 ' A' ' 120' ' ' VAL . 43.9 pt -61.25 -29.05 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 43.42 111.135 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -60.89 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 70.22 110.937 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -61.42 -46.96 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 54.52 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.27 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 70.34 110.893 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.8 m-85 -59.13 -28.02 66.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.35 71.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 71.42 111.074 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -53.21 -30.96 40.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.3 110.854 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -69.44 -48.67 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 62.34 110.879 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.66 -118.72 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 71.14 112.488 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -127.8 115.4 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 74.15 111.154 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 78.6 mt -89.39 157.49 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 64.03 110.914 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.65 -34.05 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -153.31 147.63 25.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.844 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.582 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -155.87 124.0 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 34.34 111.081 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.49 151.99 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.079 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.64 152.18 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.35 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.21 127.61 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.808 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -117.12 150.51 38.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 62.44 110.931 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -93.86 -173.04 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.884 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -64.92 -29.91 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 64.44 110.834 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.4 m -72.85 -22.38 60.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.865 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.47 40.03 4.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.787 -0.72 . . . . 64.14 112.452 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.39 159.43 42.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 75.12 110.882 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -52.66 114.7 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.926 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -55.69 -27.63 51.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 71.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.73 -15.96 4.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 72.51 112.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 80' ' ' SER . 45.2 p -137.12 141.85 42.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 44.42 111.124 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.26 164.4 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 54.34 111.096 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -128.77 122.3 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 60.44 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 1.024 HG22 HD12 ' A' ' 91' ' ' ILE . 2.4 t -131.5 123.49 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.14 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 6.2 m80 -94.91 114.56 26.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.14 110.787 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.632 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.1 m-85 -82.17 150.05 27.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.827 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.53 -12.58 56.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 75.33 110.881 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.11 145.15 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.868 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.535 ' CD ' HD21 ' A' ' 149' ' ' LEU . 18.9 tpp85 -74.96 -43.78 52.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 72.45 110.894 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.39 -62.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.51 111.087 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -29.46 70.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 44.23 110.837 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -63.56 -51.72 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.25 111.109 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.0 tm? -68.59 -39.85 80.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 64.03 110.914 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.49 -47.06 77.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.877 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.45 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.52 111.121 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -34.74 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 41.33 110.878 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -78.02 -27.48 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.86 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -88.96 -11.0 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 52.42 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -107.63 -43.87 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 61.43 110.91 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.85 112.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 75.31 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.11 0.92 29.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 70.41 112.521 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 135' ' ' TYR . 70.7 t -84.02 112.84 43.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 65.41 111.151 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 131.87 22.04 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 73.22 112.372 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 tp -128.72 97.86 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 51.85 36.92 19.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.45 110.848 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.63 20.17 41.64 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 75.23 112.517 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -141.02 94.34 7.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 74.22 110.939 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.07 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.801 2.334 . . . . 73.33 112.357 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.2 mtp -63.07 144.51 56.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 61.13 110.884 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.25 109.03 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.42 110.966 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.8 135.28 44.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 75.14 111.127 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.56 115.49 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.33 110.999 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.732 ' HA ' HD13 ' A' ' 77' ' ' LEU . 15.3 tp -76.41 126.83 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 60.12 110.888 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 81.8 t -117.35 136.24 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 62.15 111.107 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.13 86.69 7.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.049 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 19.0 t -176.7 153.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.4 110.863 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -161.56 173.06 15.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 73.44 110.911 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 38.3 mm -88.51 -25.58 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.31 111.15 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -118.28 90.04 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.879 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 156' ' ' LEU . 4.2 pp -89.25 10.02 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 60.25 110.83 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.96 29.3 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -61.87 150.42 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 60.54 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -140.34 129.58 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -136.27 153.41 51.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 73.13 110.807 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -126.19 174.92 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.845 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -149.22 167.87 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 65.13 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.8 p80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.817 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 121.474 0.486 . . . . 72.22 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.93 40.19 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.646 2.231 . . . . 45.03 112.356 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.95 109.2 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.877 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 176.04 -31.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 64.03 112.496 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 68.0 m -99.51 -29.39 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 74.32 110.851 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 24.8 p -170.3 154.35 4.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 75.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 23.3 t -84.5 -35.11 23.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.867 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.34 -171.18 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 65.42 110.875 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.0 t -56.59 176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 43.35 111.13 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -70.6 149.04 47.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.928 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.592 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.3 t90 -56.19 -28.99 60.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.918 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -74.42 -28.97 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.13 111.037 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.98 -57.03 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.876 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -51.54 -41.48 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 108' ' ' TRP . 61.9 t -64.45 -50.55 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.45 111.093 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.7 -38.24 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.66 -43.1 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.13 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.24 111.038 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.99 -41.31 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.13 111.094 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.37 -10.78 60.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 63.24 111.056 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -94.48 20.07 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 73.22 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ARG . . . . . 0.467 HH11 HG22 ' A' ' 138' ' ' VAL . 31.3 mmm-85 -105.9 16.62 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.815 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.882 -179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.873 0.368 . . . . 72.04 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.59 127.05 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.35 111.1 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.5 p -160.92 123.66 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 73.32 110.89 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.5 tpp -169.48 132.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.897 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -118.83 146.53 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 51.41 111.194 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.59 142.6 7.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 72.13 112.448 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.15 110.16 1.13 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 74.24 112.522 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -164.82 109.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.704 0.288 . . . . 52.42 110.898 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -94.92 128.87 42.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -141.97 155.85 45.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 45.32 110.828 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.56 140.35 3.04 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.692 -0.766 . . . . 40.32 112.504 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -139.96 123.3 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 43.4 110.879 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.14 160.6 77.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.532 0.682 . . . . 53.24 110.886 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -16.34 37.27 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.64 2.227 . . . . 61.11 112.353 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.34 -29.87 25.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.784 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -52.01 -30.13 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -68.95 140.42 55.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 53.14 110.959 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -130.85 172.09 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 62.33 110.87 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -104.9 32.51 4.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 75.02 110.877 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -82.72 -25.93 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.854 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.86 9.52 18.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.96 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -77.79 156.98 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 75.3 110.855 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -146.74 169.04 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 71.31 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 t -177.59 97.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 72.44 110.827 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.74 116.96 0.77 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 44.03 112.566 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.7 t -118.62 144.16 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 65.32 110.875 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.11 173.15 24.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 73.31 112.477 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.48 178.66 48.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 54.21 112.472 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.09 54.95 5.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 54.15 112.458 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -126.35 139.91 52.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 74.31 110.919 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.85 -76.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 53.13 112.442 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.861 HG12 HG22 ' A' ' 73' ' ' THR . 2.5 t -130.37 134.81 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 73.25 111.133 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.77 38.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.893 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.861 HG22 HG12 ' A' ' 71' ' ' VAL . 15.1 t -148.34 36.16 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.506 . . . . 74.34 111.133 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.04 141.25 3.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 32.21 112.491 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.84 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 75.55 111.088 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -99.26 112.59 24.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.954 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.649 ' CD1' ' HB1' ' A' ' 128' ' ' ALA . 4.2 mp -92.37 133.66 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.936 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -109.86 117.98 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.975 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.24 143.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 63.22 111.177 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.423 ' HA ' HG22 ' A' ' 117' ' ' THR . 86.2 p -146.44 156.93 43.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 65.22 110.873 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.05 48.1 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.35 110.883 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.598 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -108.85 162.74 13.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.94 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.26 176.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.841 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -95.98 7.31 46.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 65.31 110.924 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.23 -4.29 38.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 61.45 112.481 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.838 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 14.2 t -51.6 147.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 73.42 111.119 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.64 160.3 43.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 60.34 110.886 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.12 -56.58 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.65 77.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 74.11 111.102 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -55.06 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 70.2 110.85 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.872 HD12 HG22 ' A' ' 120' ' ' VAL . 35.9 pt -66.73 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.166 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 -60.68 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.12 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.81 -47.7 85.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 71.34 110.847 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.3 OUTLIER -51.47 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 64.33 110.927 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 12.3 m-85 -58.1 -29.17 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.846 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.066 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.49 -30.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 63.14 110.864 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -70.73 -50.77 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.815 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.17 -114.44 0.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 44.23 112.5 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.3 m -126.36 130.1 50.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 54.32 111.094 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 44.5 mt -106.16 153.76 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.881 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.37 -26.01 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.86 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 161.42 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 73.33 110.963 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -156.31 132.19 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 64.23 111.051 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.94 155.21 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 54.42 111.125 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.2 p -132.65 147.51 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 71.42 111.117 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.54 126.45 36.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.913 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.45 144.75 43.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 64.45 110.926 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -89.42 -178.19 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 71.03 110.871 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.76 68.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 51.12 110.866 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -74.2 -22.36 59.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 43.44 110.828 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.78 28.62 8.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 61.32 112.488 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -132.29 158.91 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 74.22 110.854 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -52.63 118.38 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 71.52 110.82 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -30.66 54.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.96 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.02 -15.52 3.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 73.15 112.574 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 80' ' ' SER . 38.0 p -142.1 141.42 32.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 74.13 111.135 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.593 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -122.83 169.61 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 64.34 111.099 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -133.96 122.85 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.847 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.872 HG22 HD12 ' A' ' 91' ' ' ILE . 2.5 t -123.79 140.95 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -102.96 113.57 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 65.14 110.799 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -89.39 137.13 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.906 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -73.34 -15.68 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.863 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 142.72 33.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.827 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -32.62 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 72.43 110.913 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.71 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.33 111.121 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.53 -34.45 50.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.649 ' HB1' ' CD1' ' A' ' 77' ' ' LEU . . . -71.22 -40.2 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.067 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -62.63 -49.24 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.954 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.81 -38.23 79.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.879 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.85 -56.01 14.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 64.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -34.05 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 44.34 110.894 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -76.12 -28.55 57.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.891 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -16.89 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.51 110.976 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.4 m-30 -99.16 -43.64 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.878 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.74 112.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 72.34 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 1.18 31.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 44.41 112.528 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 135' ' ' TYR . 59.5 t -83.94 112.67 42.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 74.32 111.087 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.95 20.22 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 74.11 112.278 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -127.36 97.85 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.41 110.87 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.06 35.29 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.896 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 92.01 20.09 37.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.812 -0.708 . . . . 60.41 112.502 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.16 95.56 7.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.652 0.739 . . . . 75.4 110.875 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.08 4.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 75.41 112.36 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.9 mtp -63.96 146.92 53.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.903 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -135.92 110.38 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.85 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.413 HD13 ' HB3' ' A' ' 135' ' ' TYR . 5.2 mp -109.32 139.73 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 72.15 111.117 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.43 115.69 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -68.25 136.45 53.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 70.45 110.902 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 20.4 t -121.62 123.48 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 64.31 111.146 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -94.15 86.04 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 62.42 111.159 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.1 m -151.91 139.57 19.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 63.11 110.936 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -125.79 177.75 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 50.23 110.942 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 34.9 mm -121.11 -33.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.139 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -64.33 94.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.82 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 156' ' ' LEU . 4.0 pp -89.25 10.11 23.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 64.12 110.91 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -96.78 26.77 4.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 63.22 110.883 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -66.89 165.49 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.829 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 53.3 t60 60.89 45.94 9.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.865 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -87.18 175.0 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.835 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -123.92 151.75 43.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.842 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -164.81 140.72 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.882 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.841 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 CA-C-O 121.387 0.437 . . . . 75.5 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 134.82 28.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.7 2.267 . . . . 65.51 112.325 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 23.0 tp -107.38 -45.03 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.952 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.98 -65.34 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.757 . . . . 51.44 112.473 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.14 40.89 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 73.15 110.833 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.3 m -106.5 26.95 9.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 75.44 110.841 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 53.9 m -147.54 160.06 43.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.858 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -75.94 -19.6 58.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.6 t -162.32 175.68 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 55.44 111.181 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 72.6 m -72.78 159.46 33.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 75.03 110.853 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.838 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 58.3 t90 -65.55 -24.2 67.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.477 . . . . 73.24 110.957 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.61 -22.76 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 65.04 111.132 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -56.62 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.863 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -49.64 -49.53 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.3 p -68.1 -36.2 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.107 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -59.11 -40.75 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 60.41 110.835 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.43 -41.56 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.19 -39.93 76.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 54.41 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -82.64 -45.63 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 64.31 111.12 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.54 -54.91 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 65.22 111.045 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -60.4 -26.24 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.869 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -87.89 64.6 7.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 54.11 110.834 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.883 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.755 0.312 . . . . 72.32 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 93.66 9.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 52.1 111.026 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -131.05 126.35 35.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.847 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.3 tpt -165.43 116.36 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 53.43 110.827 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.63 143.74 26.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 71.01 111.146 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.21 110.99 0.29 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.74 -0.743 . . . . 65.34 112.502 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.4 -114.9 1.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 43.24 112.554 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -118.98 53.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 73.22 110.956 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -59.75 165.59 3.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 63.13 110.95 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 ttp 57.31 33.56 23.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 65.21 110.915 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.11 146.14 10.71 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.742 -0.742 . . . . 70.21 112.465 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 120.91 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 71.24 110.898 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.21 160.42 40.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.553 0.692 . . . . 62.01 110.886 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -14.89 36.81 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.711 2.274 . . . . 73.42 112.343 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -55.87 -25.47 42.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -93.89 40.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -97.67 163.99 12.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.54 110.907 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -125.51 75.84 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 54.3 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -113.07 71.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.835 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 65.15 110.909 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.26 -18.58 48.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.12 110.944 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -133.43 175.08 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.923 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -141.66 132.4 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.838 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 p 52.09 31.56 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 60.05 110.835 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.81 -84.52 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.714 -0.755 . . . . 72.41 112.444 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.8 t -68.33 159.11 32.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 54.42 110.876 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.11 111.86 1.2 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 74.13 112.514 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.98 110.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 63.03 112.449 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.2 -60.87 0.4 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 74.03 112.489 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -109.78 118.44 36.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.378 . . . . 74.02 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.528 ' HA2' ' HB1' ' A' ' 151' ' ' ALA . . . 114.38 99.49 2.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 61.11 112.51 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 73' ' ' THR . 9.2 p -127.74 157.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 61.23 111.114 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' N ' HG22 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -83.66 6.0 22.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.948 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.512 HG22 HG22 ' A' ' 71' ' ' VAL . 4.2 t -134.95 62.26 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.42 111.125 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 131.38 137.44 4.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 42.1 112.519 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.65 163.47 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 75.31 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -97.76 114.14 26.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 64.31 110.831 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.707 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.2 mm? -102.18 128.87 48.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.918 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.23 129.0 56.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.871 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 t -104.14 143.17 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 72.3 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.492 ' HA ' HG22 ' A' ' 117' ' ' THR . 81.3 p -142.28 157.21 45.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 43.52 110.854 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t30 65.22 48.07 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 73.2 110.923 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.62 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -110.62 157.5 19.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.12 110.909 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.547 ' CG ' HD23 ' A' ' 140' ' ' LEU . 35.8 m-20 -55.56 177.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.866 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -93.1 -3.35 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.832 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.451 ' O ' HD22 ' B' ' 100' ' ' LEU . . . -91.46 -17.72 48.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.748 -0.739 . . . . 74.12 112.464 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.62 HG11 HD13 ' A' ' 82' ' ' LEU . 7.2 p -50.32 145.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 74.2 111.134 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -146.38 166.01 27.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 72.34 110.859 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -59.39 3.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.86 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.87 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 73.13 111.11 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -59.36 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.884 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.053 HD12 HG22 ' A' ' 120' ' ' VAL . 39.8 pt -62.68 -29.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.43 111.118 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -61.05 -60.96 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.869 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.84 -46.92 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.608 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -50.96 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 65.33 110.913 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.71 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.6 m-85 -58.55 -29.29 66.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.41 111.107 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.9 -30.21 45.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 73.01 110.842 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -69.17 -51.1 41.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.907 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.79 -101.68 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 61.21 112.502 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -135.98 143.09 44.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 64.4 111.136 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.71 HD11 ' CB ' ' A' ' 95' ' ' PHE . 44.9 mt -122.22 145.85 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.88 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -25.8 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 63.23 110.934 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -167.71 155.63 8.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 74.33 110.905 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.624 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -156.25 121.64 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 44.04 111.127 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.21 157.37 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 72.5 111.167 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.32 152.33 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 64.24 111.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -94.15 122.78 37.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.845 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.94 152.57 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.907 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -100.02 -176.28 3.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.876 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -60.9 -31.33 70.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 63.45 110.879 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.97 -22.39 62.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 75.44 110.834 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.15 21.16 23.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.805 -0.712 . . . . 61.03 112.414 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -121.21 155.41 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.32 . . . . 54.4 110.875 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.5 t -52.08 127.3 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 73.22 110.922 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' A' ' 107' ' ' ASP . 16.4 mt -64.38 -25.77 68.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.46 -14.13 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 73.52 112.474 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 80' ' ' SER . 67.7 p -139.25 141.77 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 44.24 111.142 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -118.24 165.72 13.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 61.2 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.83 123.72 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 43.21 110.828 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 1.053 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -131.96 126.74 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 44.43 111.124 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -95.66 114.92 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 53.11 110.853 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.86 148.0 26.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.896 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -83.74 -18.19 38.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.88 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 137.75 38.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 61.14 110.842 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -38.1 77.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 63.44 110.886 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 64.34 111.177 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.37 -33.02 63.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 63.25 110.836 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.707 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.68 -45.42 75.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 40.03 111.111 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -63.08 -48.21 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.904 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -63.41 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.885 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.45 -62.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 61.13 111.091 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -31.24 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 73.53 110.832 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -80.08 -28.5 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 73.24 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -10.87 44.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 75.12 110.906 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.01 -42.91 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.873 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -50.8 112.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.41 110.919 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.57 1.73 32.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 74.22 112.52 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 135' ' ' TYR . 61.3 t -84.51 112.8 44.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 74.22 111.121 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.42 21.2 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 73.41 112.356 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.601 ' CD1' HG22 ' B' ' 112' ' ' VAL . 8.2 tp -127.54 97.74 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.943 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.62 36.36 17.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.916 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.79 39.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 72.51 112.469 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 95.41 7.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 73.35 110.888 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 54.14 112.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.1 mtp -64.77 145.27 56.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -135.73 107.85 7.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.533 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.1 mp -105.95 141.71 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.099 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 131.49 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.933 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 77' ' ' LEU . 19.0 tp -88.16 123.84 33.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 71.55 110.845 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.65 121.15 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.157 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.528 ' HB1' ' HA2' ' A' ' 70' ' ' GLY . . . -87.98 96.99 10.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 61.24 111.09 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.6 t -161.14 157.38 25.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 44.22 110.849 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -161.27 170.48 20.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 71.34 110.903 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.623 ' O ' HD23 ' A' ' 156' ' ' LEU . 3.6 mp -120.44 -42.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 71.55 111.176 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.9 67.38 5.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 60.2 110.854 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 154' ' ' ILE . 0.9 OUTLIER -88.68 -24.98 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 64.55 110.923 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -68.75 -25.65 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.865 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 14.7 m170 62.72 52.48 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 61.21 110.883 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -133.78 49.49 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.856 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -52.08 152.5 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.22 110.842 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -78.89 -26.2 43.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 70.43 110.917 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -104.73 48.83 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.919 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 22.2 p80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.846 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 121.35 0.417 . . . . 35.53 112.559 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.81 68.49 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.642 2.228 . . . . 62.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 85' ' ' GLY . 13.9 mt -65.34 91.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 52.18 -136.21 35.01 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 72.42 112.492 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 32.1 t -93.77 42.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 54.04 110.901 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 66.9 m -84.32 80.4 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.4 110.835 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 22.5 p -103.74 -25.98 12.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.908 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -107.86 -76.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.899 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.3 t -99.74 176.32 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.21 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 36.9 m -69.34 -178.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.568 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 67.5 t90 -83.77 -23.62 31.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 71.54 110.906 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -80.58 -23.94 39.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.1 111.096 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.71 -60.52 2.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.894 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -50.87 -37.82 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.848 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.601 HG22 ' CD1' ' A' ' 140' ' ' LEU . 99.9 t -69.25 -48.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.08 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.608 ' HG3' HD12 ' A' ' 94' ' ' LEU . 38.0 mtm180 -57.37 -36.72 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.873 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -74.52 -49.74 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.23 110.9 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.2 -41.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -77.35 -44.18 30.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 61.01 111.052 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.35 -25.55 67.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 62.44 111.142 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -69.6 -26.46 64.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.969 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -95.79 33.18 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 54.44 110.898 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 55.33 110.868 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.8 ptt? . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.792 0.33 . . . . 62.33 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.74 -179.55 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.073 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.8 m -133.44 99.37 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.2 110.85 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.4 ttt -122.07 83.15 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 75.33 110.827 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.8 p 49.96 39.46 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 75.41 111.137 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.01 175.97 26.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.747 . . . . 65.12 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.71 145.54 17.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 63.41 112.504 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -83.11 60.71 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.736 0.303 . . . . 72.51 110.86 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -113.51 167.68 10.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 71.15 110.934 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.46 172.45 11.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.918 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.32 -122.14 1.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 63.21 112.476 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -134.35 171.88 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.362 . . . . 74.51 110.796 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -86.42 160.6 50.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 75.43 110.915 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -15.48 37.43 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 63.42 112.38 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -55.96 -25.45 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.921 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -54.47 -27.15 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 51.03 110.92 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -52.01 136.84 28.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.945 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -75.2 73.23 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 74.51 110.933 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -122.07 -35.56 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.828 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -66.69 -18.62 65.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.864 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.77 12.7 12.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.134 -0.484 . . . . 72.11 110.919 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -51.95 152.5 3.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 71.15 110.865 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 t0 56.36 51.43 11.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 60.22 110.922 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 p -120.0 42.77 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.846 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -109.93 -87.81 1.85 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 65.52 112.543 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.548 ' HB2' HD13 ' A' ' 156' ' ' LEU . 96.1 m -143.24 143.0 31.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 65.33 110.882 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.19 -151.62 20.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 53.45 112.462 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.63 96.76 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 71.34 112.552 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.79 54.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 53.41 112.494 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.68 136.79 45.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 50.2 110.909 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.36 100.08 2.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 63.21 112.494 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.775 HG12 HG22 ' A' ' 73' ' ' THR . 2.7 t -132.28 143.45 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.779 0.323 . . . . 50.12 111.12 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -95.69 26.42 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 42.55 110.908 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.775 HG22 HG12 ' A' ' 71' ' ' VAL . 9.1 t -146.71 49.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 62.31 111.125 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.66 141.98 3.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 71.45 112.476 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.89 174.06 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 62.31 111.174 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HE2' HG11 ' A' ' 150' ' ' VAL . 37.0 ttpt -110.68 112.86 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.22 110.851 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.839 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm? -95.32 122.49 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.842 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.53 119.93 39.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 62.44 110.908 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 82' ' ' LEU . 47.0 t -100.22 141.14 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.098 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.538 ' HA ' HG22 ' A' ' 117' ' ' THR . 29.7 m -146.72 157.45 43.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 61.33 110.884 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 t30 64.3 49.13 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 73.05 110.925 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -111.46 166.38 11.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.896 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.98 177.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 62.13 110.876 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -97.35 8.24 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.841 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.73 -3.37 34.6 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.743 -0.741 . . . . 63.24 112.378 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.843 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 13.0 t -53.61 148.57 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 74.04 111.153 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.22 160.6 43.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.794 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.86 -54.24 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.23 110.869 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.89 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.133 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.72 -53.74 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.864 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.417 HG13 ' HB1' ' A' ' 104' ' ' ALA . 21.8 pt -67.35 -35.95 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.23 111.154 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.405 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -57.44 -61.07 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.919 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.51 -47.85 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.55 -65.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.861 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CD2' HG11 ' A' ' 120' ' ' VAL . 24.7 m-85 -59.35 -28.52 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 71.25 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -63.55 -31.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 43.15 111.02 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -30.74 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 72.35 110.902 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -66.27 -52.71 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.839 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.73 -97.72 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 53.34 112.543 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -140.64 139.41 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 65.14 111.24 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.68 HD11 ' CB ' ' A' ' 95' ' ' PHE . 55.3 mt -119.21 154.99 32.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 52.32 110.893 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -36.5 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.45 110.874 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -149.4 147.51 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 75.24 110.888 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.417 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -153.88 123.92 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.21 111.11 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.51 157.39 43.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 41.51 111.187 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 p -121.73 144.54 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.105 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.89 134.46 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 60.22 110.863 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.45 ' O ' HD12 ' A' ' 115' ' ' LEU . 2.6 m-85 -119.25 158.19 26.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 61.45 110.945 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -96.01 174.57 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 54.12 110.847 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -21.56 59.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.41 110.853 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -76.64 -22.48 54.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.839 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.29 42.52 3.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 62.01 112.543 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -148.78 168.48 22.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 72.02 110.884 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.79 117.81 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 62.42 110.854 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -66.8 -17.85 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 54.24 110.886 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.89 -10.27 12.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 71.42 112.453 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 80' ' ' SER . 59.5 p -142.24 141.26 32.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 73.22 111.125 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -114.56 169.84 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.31 111.073 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -139.64 108.56 6.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.13 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.706 HG11 ' CD2' ' A' ' 95' ' ' PHE . 1.2 p -127.8 127.8 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 61.04 111.118 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -96.08 123.37 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 70.32 110.858 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.565 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.8 m-85 -83.39 151.97 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.52 110.898 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.87 -15.67 50.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.875 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.83 136.56 35.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.873 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -32.64 73.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.15 110.829 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 71.54 111.062 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.29 -23.37 48.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 62.33 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.839 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.0 -59.51 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 70.14 111.106 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.3 tm? -58.54 -40.22 82.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 60.13 110.971 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.96 -48.81 72.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 70.33 110.941 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.094 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.411 ' SD ' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -52.92 -34.96 57.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.15 110.853 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -26.02 52.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 63.54 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.99 -14.05 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 63.02 110.912 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.517 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.0 m-30 -105.48 -42.49 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 65.35 110.913 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -50.41 112.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 64.2 110.894 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.09 29.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 75.51 112.462 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' B' ' 116' ' ' ALA . 68.1 t -84.53 112.91 45.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 74.33 111.157 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.85 18.31 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.6 2.2 . . . . 62.51 112.367 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -125.37 97.99 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 t70 52.56 34.73 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.863 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.58 19.74 34.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 60.41 112.529 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.14 97.12 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 65.41 110.85 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 73.12 112.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.563 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.2 mtp -63.15 142.94 58.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.932 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -132.37 107.68 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 61.23 110.905 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.563 HD11 ' HE3' ' A' ' 145' ' ' MET . 3.7 mp -112.36 143.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 63.2 111.082 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.27 144.08 48.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 63.11 110.933 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.753 ' HA ' HD13 ' A' ' 77' ' ' LEU . 8.8 tt -91.1 128.27 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.866 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.432 HG11 ' HE2' ' A' ' 76' ' ' LYS . 58.2 t -113.17 126.53 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 54.12 111.117 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.36 93.93 9.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.55 111.087 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.5 p -167.82 150.49 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 63.42 110.845 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.538 ' O ' HD13 ' A' ' 154' ' ' ILE . 12.3 mp0 -132.46 162.63 30.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 74.25 110.863 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 153' ' ' GLN . 25.9 mm -132.17 -49.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 74.31 111.16 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -54.39 151.28 7.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.01 110.864 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 65' ' ' CYS . 10.1 mt -89.05 -25.13 22.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.942 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.77 -29.9 42.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 60.3 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -75.12 -35.94 61.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.764 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -76.83 102.36 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.873 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -146.29 179.56 7.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 72.21 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -53.92 171.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.88 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -106.1 -72.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.54 110.807 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 71.25 110.782 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 121.398 0.443 . . . . 54.04 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 174.84 8.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 62.51 112.353 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 16.9 tp -169.53 124.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 55.32 110.9 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.7 173.42 29.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 71.25 112.457 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -119.49 -34.77 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 54.45 110.872 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.9 m -60.5 172.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 73.32 110.873 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 21.4 m -76.63 -71.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.914 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -54.02 -76.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.02 110.935 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -154.12 174.14 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 62.43 111.173 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.7 m -67.31 153.9 42.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 54.05 110.822 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' TRP . . . . . 0.843 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 68.0 t90 -61.09 -25.63 67.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 72.32 110.937 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -78.11 -26.65 48.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 74.13 111.078 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -69.73 -48.41 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.807 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -59.18 -39.79 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.806 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 108' ' ' TRP . 61.6 t -68.09 -60.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 43.14 111.087 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -55.09 -29.65 58.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 54.31 110.847 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.29 -38.18 43.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 71.5 110.918 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.57 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 50.43 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -83.11 -46.38 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 72.23 111.111 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.47 -50.52 59.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 74.12 111.098 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -57.05 -24.9 57.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.927 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -94.93 51.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 71.34 110.879 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.437 -0.265 . . . . 54.33 112.437 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.3 161.97 30.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 61.12 111.093 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -103.97 113.57 27.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 73.33 110.843 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.789 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -93.19 139.61 30.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 54.22 110.9 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.64 108.49 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 73.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.8 t -90.57 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.09 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.587 ' HA ' HG22 ' A' ' 117' ' ' THR . 54.4 p -144.63 159.52 42.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.31 110.887 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.11 45.98 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 64.51 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.68 158.57 17.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.936 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.488 ' CG ' HD23 ' A' ' 140' ' ' LEU . 49.8 m-20 -55.55 177.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.861 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -93.15 -7.42 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.884 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.24 -17.32 59.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 35.43 112.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 82' ' ' LEU . 10.6 p -50.65 142.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.31 111.16 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.0 m -145.68 167.18 23.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 55.41 110.788 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -59.91 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 62.1 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -38.9 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 44.43 111.105 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -60.66 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 63.54 110.848 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.909 HD12 HG22 ' A' ' 120' ' ' VAL . 43.1 pt -61.06 -29.13 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 72.2 111.122 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.471 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.47 -61.22 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.908 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.49 -46.93 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.51 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.16 -66.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 54.25 110.923 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.723 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.6 m-85 -59.64 -27.22 66.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 51.24 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.92 -30.09 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.873 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -68.28 -50.25 54.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.885 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.97 -102.74 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 71.11 112.438 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 m -133.55 138.38 46.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.332 . . . . 72.2 111.149 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 95' ' ' PHE . 41.7 mt -113.86 145.35 41.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.905 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -100.65 -25.38 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.915 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 156.72 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 63.31 110.938 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.11 132.06 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 52.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.02 157.13 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 74.24 111.099 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 118' ' ' ALA . 9.6 p -132.35 149.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 52.54 111.16 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.874 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.856 0.36 . . . . 74.35 110.85 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.88 -31.78 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 61.54 110.89 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.87 -20.97 3.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.745 -0.74 . . . . 44.21 112.486 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 80' ' ' SER . 66.4 p -132.79 142.14 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 71.21 111.183 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.58 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -125.55 166.59 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.23 111.074 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.39 127.3 40.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 62.2 110.887 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.909 HG22 HD12 ' A' ' 91' ' ' ILE . 3.2 t -129.36 127.13 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 75.52 111.118 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.12 115.5 27.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 65.13 110.895 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.617 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.4 m-85 -88.09 139.97 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.04 110.914 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.45 -15.81 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 145.35 42.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.918 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -32.72 62.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -63.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 75.44 111.095 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.25 -28.17 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 71.51 110.87 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.789 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -71.14 -57.18 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.15 111.051 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.705 HD23 HD22 ' A' ' 149' ' ' LEU . 1.3 tm? -57.83 -42.52 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.828 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.13 -46.15 78.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 61.41 110.934 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.16 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 72.12 111.064 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.539 ' HE3' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.853 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -78.39 -25.57 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 54.04 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -89.39 -10.99 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.936 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.1 m-30 -109.76 -41.38 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 71.24 110.883 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -50.75 112.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 65.14 110.888 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.98 5.23 33.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 44.31 112.482 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.728 HG21 ' HB2' ' B' ' 116' ' ' ALA . 53.3 t -87.75 112.68 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.732 . . . . 73.21 111.108 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.56 21.49 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 75.01 112.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.488 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.9 tp -127.63 97.75 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 50.71 37.02 15.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.44 20.2 38.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 61.33 112.485 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -140.88 93.89 8.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 71.51 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.09 4.4 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.72 2.28 . . . . 72.32 112.339 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 mtp -65.27 143.23 57.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 44.11 110.901 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -133.57 110.92 10.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 71.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.4 mp -106.06 139.34 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 44.33 111.151 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.71 115.94 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.21 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.719 ' HA ' HD13 ' A' ' 77' ' ' LEU . 7.2 tp -76.13 123.75 26.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 63.21 110.887 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 53.44 111.085 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.656 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.8 t90 . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 120.762 0.315 . . . . 75.43 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -77.78 -30.99 51.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 52.24 111.076 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.21 -49.48 67.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 55.11 110.844 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -58.83 -38.74 79.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 44.21 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 108' ' ' TRP . 65.9 t -66.81 -60.11 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.34 111.217 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -54.13 -33.1 56.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 62.54 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.31 -41.06 63.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.83 98.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 55.54 111.082 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.22 111.088 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.449 -0.26 . . . . 62.44 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.9 155.59 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 41.13 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -90.6 113.74 25.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 54.41 110.919 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.693 HD21 ' HB1' ' A' ' 128' ' ' ALA . 2.6 mm? -99.75 133.33 44.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.24 110.919 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -117.05 127.18 53.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.961 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.67 141.95 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 71.51 111.113 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.597 ' HA ' HG22 ' A' ' 117' ' ' THR . 49.9 m -142.63 155.86 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 60.43 110.876 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.07 47.78 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.889 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -111.41 156.89 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.955 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 86' ' ' VAL . 20.4 m-20 -57.55 177.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.02 110.92 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -88.27 -24.56 23.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 65.23 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.31 -21.05 70.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 43.15 112.487 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 82' ' ' LEU . 7.6 p -50.63 145.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 64.35 111.133 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -149.39 167.37 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.879 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.62 -59.22 4.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.853 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.99 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 64.44 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -56.85 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.971 HD12 HG22 ' A' ' 120' ' ' VAL . 41.4 pt -65.19 -29.69 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 45.31 111.131 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.432 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -62.07 -61.01 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.942 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.55 -46.81 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.569 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.3 OUTLIER -51.38 -66.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 74.35 110.941 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.722 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.5 m-85 -58.74 -28.37 65.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.889 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.01 70.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 71.44 111.139 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -30.43 58.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 44.43 110.846 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -70.04 -49.4 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 62.45 110.906 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.05 -114.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 75.4 112.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -127.02 130.33 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 75.42 111.181 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 95' ' ' PHE . 40.4 mt -107.37 147.84 29.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.891 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -98.22 -25.61 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.54 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.11 156.31 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.938 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.432 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -156.19 127.01 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 55.23 111.118 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 157.27 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 71.34 111.084 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.3 p -125.8 144.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 72.21 111.159 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.846 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.933 0.396 . . . . 74.13 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.52 -27.04 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 54.1 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 -13.41 5.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.14 112.449 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 80' ' ' SER . 65.0 p -140.58 141.71 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 64.22 111.144 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -119.84 168.21 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.24 111.106 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.37 125.29 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.971 HG22 HD12 ' A' ' 91' ' ' ILE . 3.2 t -131.44 129.88 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.098 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -95.65 115.28 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.826 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -88.19 143.27 27.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 75.15 110.848 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -79.77 -20.21 46.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 71.34 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 140.26 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.857 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.467 ' HG2' HD11 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -73.69 -28.89 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.2 110.851 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 61.44 111.172 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.62 -33.63 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 42.52 110.858 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.693 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -66.93 -42.04 86.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 61.02 111.076 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.9 OUTLIER -66.33 -49.31 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 63.35 110.986 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -37.97 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.864 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.69 -61.26 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 61.3 111.093 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -32.25 65.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.844 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -77.8 -29.41 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 64.31 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -89.75 -11.6 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 63.15 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -105.17 -42.46 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.934 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -50.31 112.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.935 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.17 -0.85 29.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 63.52 112.502 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' B' ' 116' ' ' ALA . 57.8 t -81.52 113.31 41.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 55.43 111.108 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.19 20.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 72.44 112.339 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tp -127.51 97.75 4.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.946 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t0 51.85 36.55 18.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 64.44 110.871 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.89 19.3 40.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.22 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.14 97.83 6.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 64.14 110.902 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 115.77 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 73.04 112.37 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.451 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.3 mtp -63.14 143.47 57.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.869 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -134.28 107.89 7.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 52.53 110.869 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.615 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.2 mp -107.32 136.55 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.25 111.136 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.01 129.09 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 51.12 110.95 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 125' ' ' ARG . 10.4 tt -87.59 123.08 32.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.927 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 50.3 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 65.44 111.147 179.842 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.652 ' O ' HG23 ' B' ' 112' ' ' VAL . 65.8 t90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.824 0.345 . . . . 74.33 110.906 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -72.93 -32.68 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.23 111.088 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.63 -57.7 8.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 63.23 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -51.51 -34.19 35.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.919 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 108' ' ' TRP . 94.9 t -69.31 -60.28 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 71.43 111.175 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -59.66 -23.4 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 71.41 110.9 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.36 -45.68 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.918 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.68 -28.42 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 43.03 111.094 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 70.12 111.096 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 72.31 112.514 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.41 168.67 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 74.3 111.191 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -105.92 113.82 27.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 52.33 110.906 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.809 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -94.13 139.66 30.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 52.22 110.943 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -118.64 109.42 16.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.964 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.68 141.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 75.1 111.111 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.459 ' CB ' HG22 ' A' ' 117' ' ' THR . 50.6 m -146.23 160.71 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.845 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 t30 64.0 42.52 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.866 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.665 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -105.72 158.29 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 54.24 110.907 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.495 ' CG ' HD23 ' A' ' 140' ' ' LEU . 58.9 m-20 -54.95 177.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.882 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -93.82 0.42 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.863 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.3 -16.65 36.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 72.54 112.429 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.665 HG11 HD13 ' A' ' 82' ' ' LEU . 7.5 p -50.73 145.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 52.41 111.174 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 m -147.95 167.65 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.885 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.04 -60.73 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 74.11 110.883 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.83 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 52.3 111.078 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -61.37 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 71.32 110.849 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.096 HD12 HG22 ' A' ' 120' ' ' VAL . 46.3 pt -60.77 -28.26 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 72.14 111.122 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -62.03 -61.16 2.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.942 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.36 -47.19 86.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.77 -66.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 72.32 110.943 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.75 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.9 m-85 -58.85 -27.48 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.3 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 61.21 111.092 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -52.65 -30.71 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.938 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -69.56 -50.9 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 74.04 110.923 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.97 -120.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 75.01 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 m -127.0 107.77 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 74.32 111.158 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 95' ' ' PHE . 82.9 mt -77.97 165.42 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 72.42 110.928 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -30.27 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.902 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.66 156.22 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 63.24 110.829 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.93 134.69 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 65.11 111.061 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 153.74 40.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 52.14 111.054 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -130.65 152.17 37.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.105 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.55 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.858 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.943 0.402 . . . . 73.53 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 107' ' ' ASP . 9.9 mt -63.8 -26.4 68.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 74.43 110.96 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.18 -15.43 4.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 44.52 112.505 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.459 HG22 ' CB ' ' A' ' 80' ' ' SER . 19.5 p -135.11 141.83 46.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 72.12 111.109 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -127.63 166.05 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.23 111.133 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.01 122.99 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.829 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 1.096 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -124.96 130.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 63.44 111.16 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -95.61 114.03 25.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.51 110.802 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.549 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.4 m-85 -86.76 133.47 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 70.44 110.847 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.43 -14.48 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.457 HH12 HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -139.44 142.38 37.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 64.41 110.898 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -30.79 58.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.43 -64.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 65.31 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -26.81 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.04 110.83 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.809 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -64.95 -51.55 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.1 tm? -68.12 -40.47 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.91 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -65.55 -48.41 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 61.33 110.902 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.9 -60.31 3.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 74.42 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.89 53.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.877 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -77.45 -28.61 52.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.909 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.17 -11.1 44.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 64.14 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -106.39 -43.82 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.013 0.435 . . . . 73.32 110.96 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -50.46 112.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 63.14 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.84 1.75 30.39 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.706 -0.759 . . . . 70.12 112.468 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.676 HG21 ' HB2' ' B' ' 116' ' ' ALA . 59.5 t -84.9 112.78 45.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 71.14 111.112 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.91 18.4 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.72 2.28 . . . . 73.34 112.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.495 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.1 tp -125.02 97.7 5.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.959 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.0 t0 51.62 35.25 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 65.53 110.911 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.63 34.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 62.13 112.52 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.98 95.51 7.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 72.52 110.897 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 116.27 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 62.32 112.325 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.93 145.63 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.833 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -135.27 107.75 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 64.41 110.871 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.31 131.11 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 73.24 111.141 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.03 115.76 25.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 64.3 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.754 ' HA ' HD13 ' A' ' 77' ' ' LEU . 17.1 tp -76.7 128.16 34.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.45 110.989 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.45 111.19 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.647 ' O ' HG23 ' B' ' 112' ' ' VAL . 67.4 t90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 63.3 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -78.14 -30.67 49.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.4 111.087 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.98 -52.47 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 65.33 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -56.67 -40.24 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 65.15 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 108' ' ' TRP . 91.9 t -64.18 -60.28 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 63.05 111.099 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -55.02 -30.29 59.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.874 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -75.47 -37.54 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.876 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.76 78.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 44.43 111.1 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.45 111.181 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.527 -0.229 . . . . 74.55 112.527 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.13 178.44 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 72.42 111.058 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -112.76 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 53.1 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.939 HD11 ' HB1' ' A' ' 128' ' ' ALA . 2.9 mp -118.53 136.61 53.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.869 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 118' ' ' ALA . 52.7 tp -113.39 114.07 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.87 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.6 t -90.89 148.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 64.21 111.145 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.451 ' CB ' HG22 ' A' ' 117' ' ' THR . 58.8 m -148.34 161.56 41.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 64.33 110.865 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 t30 65.39 42.51 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 71.52 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.674 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -107.13 157.89 17.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.866 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.34 177.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.867 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -91.99 -14.65 29.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.864 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.59 -16.89 76.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 74.33 112.513 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.674 HG11 HD13 ' A' ' 82' ' ' LEU . 11.3 p -50.26 146.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.786 0.327 . . . . 74.13 111.173 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.1 m -149.59 165.59 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.24 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -60.17 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.842 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.66 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.3 111.061 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -60.26 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.87 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.805 HD12 HG22 ' A' ' 120' ' ' VAL . 44.4 pt -61.44 -29.1 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 41.43 111.17 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -61.06 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.1 -46.85 88.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.429 HD13 HG11 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -51.44 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.945 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.722 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.2 m-85 -59.22 -27.25 65.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 75.45 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -30.17 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 51.53 111.037 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -55.54 -30.07 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.823 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -69.3 -50.69 44.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.836 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.53 -115.92 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 72.0 112.462 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 m -129.54 117.08 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 71.4 111.186 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 95' ' ' PHE . 47.0 mt -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.22 110.894 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.88 -32.16 5.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.897 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 150.92 28.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.98 131.21 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 64.01 111.119 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 119' ' ' ASP . . . -146.24 157.56 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.44 111.098 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.0 p -129.01 151.0 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 70.01 111.099 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.937 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.906 0.384 . . . . 72.54 110.956 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.94 -27.54 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 52.41 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.26 -16.4 3.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 63.1 112.46 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.451 HG22 ' CB ' ' A' ' 80' ' ' SER . 29.9 p -140.2 141.61 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 63.22 111.098 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -124.39 169.36 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.098 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.5 ' OD2' ' HB3' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -127.87 128.45 45.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 63.45 110.937 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.805 HG22 HD12 ' A' ' 91' ' ' ILE . 2.1 t -132.68 126.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 64.13 111.127 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -98.29 113.87 25.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.773 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 77' ' ' LEU . 4.3 m-85 -85.06 148.66 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.11 -15.69 55.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 50.1 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.405 ' HG3' ' HB2' ' A' ' 127' ' ' ASP . 0.0 OUTLIER -138.29 140.4 39.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.35 110.861 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.624 ' HD2' HD11 ' A' ' 149' ' ' LEU . 11.4 tpt180 -69.91 -42.67 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.879 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.07 -63.94 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 73.24 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.405 ' HB2' ' HG3' ' A' ' 124' ' ' ARG . 15.3 t70 -52.88 -37.3 60.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 75.35 110.869 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.939 ' HB1' HD11 ' A' ' 77' ' ' LEU . . . -61.46 -44.23 97.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.133 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -68.55 -44.71 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.885 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -63.58 -43.53 96.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 54.14 110.858 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.17 -62.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 63.01 111.091 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -32.89 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.03 110.886 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -78.9 -27.66 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 72.41 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -10.54 45.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.493 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.0 m-30 -108.37 -43.96 4.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 75.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -49.09 112.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.874 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.41 5.21 32.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 41.12 112.505 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 135' ' ' TYR . 50.3 t -87.56 112.01 45.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 65.22 111.083 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.63 129.35 17.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 70.32 112.386 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.99 98.07 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 71.15 110.894 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.1 t70 51.7 33.41 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.85 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.76 20.03 27.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.788 -0.72 . . . . 23.12 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.15 97.01 7.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.612 0.72 . . . . 74.01 110.786 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 116.43 4.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.628 2.219 . . . . 74.33 112.331 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 mtp -65.68 141.26 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.846 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -130.56 107.69 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.89 126.93 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 62.41 111.102 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 74.24 110.944 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.624 HD11 ' HD2' ' A' ' 125' ' ' ARG . 10.4 tt -77.17 134.71 38.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 64.14 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 71.53 111.147 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.534 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 64.8 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.762 0.315 . . . . 64.44 110.894 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.29 -22.58 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 61.43 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.46 -57.74 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.785 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.23 -49.47 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.816 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.429 HG11 HD13 ' A' ' 94' ' ' LEU . 7.0 p -67.54 -36.45 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 64.31 111.099 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -59.04 -41.17 87.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 55.45 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.93 -42.23 49.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.49 76.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.32 111.096 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 64.15 111.019 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.473 -0.251 . . . . 62.44 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.83 167.69 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 35.24 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -106.99 113.21 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.941 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.848 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm? -93.84 139.43 30.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.856 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 tp -120.36 112.68 19.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.844 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.31 142.86 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 75.1 111.138 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.595 ' HA ' HG22 ' A' ' 117' ' ' THR . 91.7 p -145.86 155.7 43.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 52.22 110.813 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 t30 64.63 46.46 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.906 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -107.82 157.69 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.889 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 177.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 54.25 110.844 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -92.01 -12.66 32.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.869 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.46 -16.96 72.33 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.745 -0.74 . . . . 64.12 112.421 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 82' ' ' LEU . 9.2 p -50.9 145.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 54.43 111.17 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 166.03 30.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 72.54 110.862 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.38 -60.37 2.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.847 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.09 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.21 111.123 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -60.31 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 51.33 110.936 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.98 HD12 HG22 ' A' ' 120' ' ' VAL . 42.1 pt -61.67 -29.48 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -61.03 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.03 110.924 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.69 -47.07 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.51 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.584 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.16 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.9 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.1 m-85 -58.83 -28.44 66.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.917 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.72 -30.68 71.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 54.01 111.138 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -30.71 43.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.887 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -69.29 -50.92 42.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 60.12 110.898 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.03 -111.3 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 74.23 112.49 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -127.8 133.66 49.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.346 . . . . 75.23 111.134 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 41.0 mt -111.49 146.26 37.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.875 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -101.48 -27.18 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.908 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 146.92 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.32 110.821 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.74 112.4 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.52 111.092 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.7 157.21 47.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 74.15 111.142 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.9 p -124.36 145.49 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 72.13 111.172 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.879 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.915 0.388 . . . . 71.3 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.94 -29.3 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 72.01 110.891 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.72 -15.4 4.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 41.24 112.51 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 80' ' ' SER . 82.4 p -134.03 141.8 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 74.15 111.211 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -119.21 164.87 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.34 111.095 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.21 118.52 22.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.98 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -127.33 125.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.13 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -95.56 114.98 26.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.601 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.9 m-85 -85.16 144.92 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 70.31 110.894 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -78.19 -16.65 57.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 75.02 110.883 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.86 143.99 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 74.03 110.838 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -34.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.804 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.52 111.045 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.778 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.848 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.96 -50.59 54.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.099 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.3 tm? -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 70.54 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -64.99 -44.85 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.934 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.69 -61.72 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 70.2 111.057 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -34.18 53.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 71.44 110.891 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -78.06 -27.55 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.15 -11.33 44.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 70.22 110.904 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.481 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.16 -43.28 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.879 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -50.52 112.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 64.53 110.953 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.26 3.46 33.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 64.33 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 135' ' ' TYR . 56.1 t -86.57 112.77 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 70.51 111.14 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 129.95 18.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.724 2.283 . . . . 72.22 112.335 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.657 ' CD1' HG22 ' B' ' 112' ' ' VAL . 8.1 tp -124.48 97.89 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 65.53 110.91 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 t70 50.91 34.82 11.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 70.45 110.856 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.51 19.75 31.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 75.43 112.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.1 95.19 7.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 71.44 110.882 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 72.45 112.325 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -65.03 146.08 55.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.871 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -135.66 107.74 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 63.23 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.06 132.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 54.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.7 115.89 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.951 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.774 ' HA ' HD13 ' A' ' 77' ' ' LEU . 8.4 tt -76.23 129.51 36.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.03 110.942 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.51 111.164 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.509 ' O ' HG23 ' B' ' 112' ' ' VAL . 66.3 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.732 0.301 . . . . 74.33 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -79.61 -25.1 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.53 111.116 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -58.35 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -51.83 -37.14 50.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.845 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.657 HG22 ' CD1' ' A' ' 140' ' ' LEU . 60.3 t -72.15 -41.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.13 111.123 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.584 ' HG3' HD12 ' A' ' 94' ' ' LEU . 53.9 mtp180 -63.9 -37.48 87.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.861 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.74 -35.85 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.12 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.45 88.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.32 111.117 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 74.43 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.465 -0.254 . . . . 71.13 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.41 172.1 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 72.52 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -110.1 113.36 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.32 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.853 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.9 mm? -92.94 140.61 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 43.34 110.949 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.0 tp -121.04 110.11 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 62.22 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.59 143.6 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.02 111.117 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.406 ' CB ' HG22 ' A' ' 117' ' ' THR . 49.0 m -147.41 158.91 44.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.846 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.03 42.66 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 55.52 110.834 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -106.75 156.2 18.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.893 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.4 177.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.32 110.877 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -90.17 -18.46 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -19.71 79.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 60.32 112.551 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.606 HG11 HD13 ' A' ' 82' ' ' LEU . 9.7 p -50.35 146.46 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 33.14 111.176 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 165.08 33.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 62.04 110.874 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -59.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 53.41 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.18 77.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.12 111.07 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -61.03 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.43 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.899 HD12 HG22 ' A' ' 120' ' ' VAL . 44.6 pt -61.12 -28.7 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.0 111.056 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -61.6 -61.27 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 64.12 110.862 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.19 -47.32 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.76 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.04 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.984 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.72 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.9 m-85 -59.92 -27.88 67.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.875 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -64.26 -30.5 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 61.23 111.11 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.12 -31.32 51.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.885 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -67.98 -49.04 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.897 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.01 -120.28 0.53 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 73.52 112.472 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -124.09 112.99 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 71.41 111.085 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.72 HD11 ' CB ' ' A' ' 95' ' ' PHE . 46.8 mt -86.14 154.39 21.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.871 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -33.72 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.891 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -157.18 150.75 24.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 73.01 110.881 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.563 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -156.04 127.09 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.2 111.037 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.03 151.06 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -120.18 152.41 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 63.31 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.491 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.871 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.833 0.349 . . . . 63.2 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 107' ' ' ASP . 6.3 mt -69.77 -24.63 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.922 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.81 -14.88 5.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.819 -0.705 . . . . 70.14 112.511 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.406 HG22 ' CB ' ' A' ' 80' ' ' SER . 82.4 p -138.22 141.66 39.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.78 0.324 . . . . 71.31 111.134 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.97 162.22 23.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.061 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -126.57 126.07 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 54.24 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.899 HG22 HD12 ' A' ' 91' ' ' ILE . 2.7 t -134.89 125.87 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 63.43 111.118 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -95.28 119.4 33.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 70.22 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.609 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.6 m-85 -88.97 134.31 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.45 110.886 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.82 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.884 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 143.56 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.933 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.91 -33.03 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 70.23 110.897 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.09 -64.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.16 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -26.24 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.853 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -64.88 -50.8 65.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.25 111.059 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.1 tm? -69.01 -38.44 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 61.44 110.89 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -67.53 -47.65 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.943 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.56 -57.26 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.21 111.081 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -33.62 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -76.4 -28.68 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 73.51 110.9 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -89.22 -14.35 36.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.4 m-30 -101.9 -43.99 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.836 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -50.48 112.04 0.63 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 71.04 110.872 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.64 2.71 28.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.663 -0.779 . . . . 73.53 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.9 t -84.36 112.67 43.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 75.44 111.1 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 132.0 22.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 74.3 112.337 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.653 ' CD1' HG22 ' B' ' 112' ' ' VAL . 9.0 tp -129.51 97.85 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.03 110.986 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.57 37.07 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 64.23 110.854 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.47 20.66 40.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 54.3 112.496 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.06 94.39 7.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 75.24 110.915 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 116.19 4.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 73.11 112.371 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mtp -62.11 144.77 54.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 52.45 110.946 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -134.69 107.74 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 70.24 110.833 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.11 137.37 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 63.32 111.142 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.94 115.75 21.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.891 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.756 ' HA ' HD13 ' A' ' 77' ' ' LEU . 10.3 tt -76.87 126.87 31.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 62.32 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 55.13 111.098 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.595 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 68.9 t90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.699 0.285 . . . . 74.44 110.898 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.24 -31.07 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.42 111.079 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.23 -56.47 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.55 -47.72 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.842 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.653 HG22 ' CD1' ' A' ' 140' ' ' LEU . 58.9 t -63.83 -50.67 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 70.43 111.112 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.76 ' HG3' HD12 ' A' ' 94' ' ' LEU . 50.5 mtm180 -52.01 -37.37 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.915 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.63 -47.93 43.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 64.23 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.77 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.53 111.084 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.42 111.07 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.51 -0.236 . . . . 61.32 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.8 153.45 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 62.41 111.09 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.744 ' C ' HD22 ' A' ' 77' ' ' LEU . 40.1 ttpt -83.74 152.77 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 71.51 110.923 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.744 HD22 ' C ' ' A' ' 76' ' ' LYS . 4.0 mm? -134.24 106.76 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp -89.47 109.54 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 51.54 110.953 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.433 ' CG1' HD23 ' A' ' 82' ' ' LEU . 83.3 t -90.96 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.35 111.196 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 117' ' ' THR . 49.0 m -146.15 160.81 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.878 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 65.37 43.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 62.21 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.6 160.75 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.21 110.889 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.485 ' CG ' HD23 ' A' ' 140' ' ' LEU . 73.8 m-20 -54.89 177.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.14 110.833 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -94.0 3.66 55.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.946 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.47 -16.94 25.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 21.51 112.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 82' ' ' LEU . 9.8 p -50.71 148.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 62.5 111.158 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m -149.29 166.69 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 25.12 110.893 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -59.14 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.939 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.73 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 75.34 111.094 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 74.04 110.891 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.6 pt -60.63 -34.64 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.155 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.461 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -54.28 -61.56 2.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 71.32 110.883 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.91 -47.45 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.841 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.575 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.31 -65.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.891 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.702 ' CD2' HG11 ' A' ' 120' ' ' VAL . 22.0 m-85 -59.09 -29.38 67.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.917 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -62.92 -31.43 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.21 111.061 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -30.94 44.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -66.16 -52.23 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.88 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.69 -97.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 73.52 112.501 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -139.9 137.88 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 64.34 111.114 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 95' ' ' PHE . 43.0 mt -116.1 144.25 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 73.43 110.97 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -91.55 -29.96 16.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 63.33 110.947 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.31 158.09 13.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.878 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -154.9 131.2 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 73.4 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.31 157.53 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 75.44 111.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.36 152.52 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 74.21 111.066 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.823 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.829 0.347 . . . . 40.13 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.65 -25.18 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 70.51 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.26 -8.51 5.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.72 . . . . 30.13 112.493 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 80' ' ' SER . 45.5 p -140.63 141.99 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 73.34 111.221 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.62 170.22 9.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 62.53 111.067 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.47 114.88 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 54.41 110.904 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.702 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -129.41 131.51 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 73.52 111.099 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -95.84 121.85 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 52.13 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.542 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.1 m-85 -85.52 137.51 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 63.31 110.89 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -67.77 -16.39 64.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.981 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.8 148.35 42.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 73.21 110.788 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -32.8 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.1 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 -63.38 1.29 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 55.14 111.122 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -53.55 -27.82 28.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.719 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.23 -59.49 2.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 53.15 111.088 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.2 tm? -56.23 -42.97 78.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 62.53 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -64.55 -47.19 79.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 62.12 110.921 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.35 -61.11 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 65.52 111.119 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -34.28 52.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 53.02 110.901 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' NZ ' HD11 ' A' ' 129' ' ' LEU . 18.9 ttmt -77.78 -27.67 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.37 -10.88 44.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.956 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.3 m-30 -107.95 -40.87 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 74.22 110.905 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.14 112.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 64.02 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.42 5.51 34.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 43.41 112.498 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 135' ' ' TYR . 52.4 t -85.5 112.66 45.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 50.12 111.121 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 130.42 19.22 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.637 2.225 . . . . 61.11 112.381 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.485 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.9 tp -127.6 97.72 4.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.975 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.5 t0 51.36 36.61 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.51 110.894 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.8 20.55 36.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 54.1 112.476 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 96.12 7.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 73.23 110.911 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 71.45 112.354 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.79 146.03 53.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.804 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -136.54 107.55 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 55.32 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.404 HG13 HG22 ' A' ' 79' ' ' VAL . 5.2 mp -106.14 135.72 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.117 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.89 115.47 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 71.34 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.73 ' HA ' HD13 ' A' ' 77' ' ' LEU . 10.1 tt -73.73 122.36 22.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 72.04 110.952 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 71.13 111.092 179.823 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.639 ' O ' HG23 ' B' ' 112' ' ' VAL . 57.8 t90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.903 0.382 . . . . 74.32 110.962 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -79.34 -30.85 42.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 74.52 111.124 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -52.62 44.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -55.58 -37.34 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.874 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 108' ' ' TRP . 89.5 t -67.81 -60.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 64.05 111.107 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -56.32 -30.25 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.816 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.59 -43.82 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 72.51 110.927 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 61.22 111.095 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 64.21 111.135 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.448 -0.261 . . . . 72.44 112.448 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.58 176.0 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 52.3 111.068 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -111.87 113.52 25.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.907 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -96.48 118.49 33.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.93 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.4 tp -97.41 108.18 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.901 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 23.7 t -91.24 145.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 53.3 111.116 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.401 ' OG ' HG22 ' A' ' 117' ' ' THR . 8.5 t -150.58 164.57 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.5 110.866 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t30 63.7 36.2 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.941 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -102.94 159.34 15.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.893 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -54.77 177.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.23 110.871 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.89 -10.08 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.94 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.42 -19.07 62.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 71.22 112.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 82' ' ' LEU . 12.9 p -50.2 147.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 55.13 111.163 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -149.57 166.04 30.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.882 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.43 -59.1 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 70.52 110.858 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.54 81.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.23 111.061 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -61.01 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.821 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.43 -33.47 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 71.52 111.095 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.505 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -55.95 -61.27 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 75.04 110.864 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -62.23 -47.45 84.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 50.43 110.86 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.6 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.1 OUTLIER -51.17 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 61.13 110.908 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 101' ' ' LEU . 35.6 m-85 -59.42 -28.79 67.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.22 110.86 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.56 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.71 -30.42 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.33 110.817 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -67.26 -52.18 43.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 72.2 110.837 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.93 -99.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 75.13 112.51 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -138.97 136.37 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 53.01 111.145 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 95' ' ' PHE . 49.9 mt -112.77 146.5 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.23 110.918 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -31.99 11.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.94 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -158.21 153.57 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 74.51 110.865 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.505 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -155.69 127.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 52.41 111.09 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.47 157.49 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 42.13 111.119 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.3 p -125.49 152.58 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 70.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 65.52 110.891 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.896 0.379 . . . . 63.31 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.15 -24.64 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 60.41 110.902 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.96 5.74 7.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 61.24 112.513 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.401 HG22 ' OG ' ' A' ' 80' ' ' SER . 7.3 p -143.23 141.95 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 64.32 111.191 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -128.64 164.35 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.13 111.07 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -138.65 109.51 6.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.879 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.632 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -125.96 128.95 72.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 72.23 111.168 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -94.6 121.45 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.35 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.54 ' CD1' HD23 ' A' ' 77' ' ' LEU . 3.6 m-85 -80.17 146.02 32.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.853 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.76 -15.6 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 64.45 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 144.71 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.849 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -32.47 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.835 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.65 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.024 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.05 -28.28 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.41 110.824 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -65.25 -50.94 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.08 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.6 tm? -66.27 -43.31 86.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.882 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -46.22 83.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.933 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -62.33 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 74.31 111.14 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.91 -32.67 46.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 73.32 110.942 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -77.06 -29.8 55.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.876 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -10.86 45.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 72.12 110.869 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.495 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.6 m-30 -105.66 -43.77 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 74.24 110.878 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -50.97 112.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 75.05 110.891 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.02 0.65 31.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 72.35 112.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.1 t -81.78 113.1 40.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 73.11 111.177 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 130.1 18.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 60.01 112.358 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.411 ' CD1' HG22 ' B' ' 112' ' ' VAL . 7.9 tp -127.16 97.85 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 70.33 110.911 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.35 35.62 20.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.91 38.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 74.32 112.448 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.1 96.57 7.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 72.12 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.02 4.38 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.699 2.266 . . . . 52.02 112.34 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mtp -61.06 145.59 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.53 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -132.89 109.75 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 72.11 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.26 135.36 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 71.04 111.137 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.72 115.56 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.872 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.714 ' HA ' HD13 ' A' ' 77' ' ' LEU . 25.8 tp -71.78 124.85 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.44 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 52.12 111.149 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.634 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.3 t90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.35 . . . . 63.43 110.837 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -76.01 -35.85 59.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 53.22 111.06 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -55.9 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 65.02 110.836 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -51.2 -44.57 61.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 108' ' ' TRP . 62.4 t -62.63 -45.0 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 71.21 111.168 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.6 ' HG3' HD12 ' A' ' 94' ' ' LEU . 67.9 mtp180 -60.14 -37.53 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 60.4 110.828 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -70.51 -43.73 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.66 96.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 62.21 111.092 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 63.34 111.046 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.506 -0.237 . . . . 73.41 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.85 154.05 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 72.22 111.104 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -93.89 112.47 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.914 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 149' ' ' LEU . 3.7 mp -96.79 139.25 33.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.854 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 118' ' ' ALA . 28.0 tp -118.15 115.41 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.906 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 145.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 73.12 111.154 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 117' ' ' THR . 19.3 m -148.22 158.64 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.911 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.73 45.54 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.974 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.692 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -109.16 160.79 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 70.2 110.976 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.11 177.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.44 110.829 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -92.57 -14.38 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.899 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.52 -15.36 76.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 74.25 112.482 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.692 HG11 HD13 ' A' ' 82' ' ' LEU . 12.5 p -50.51 146.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 65.25 111.111 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -150.19 166.26 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.853 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.6 -59.67 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.52 77.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 74.53 111.144 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -60.42 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 74.22 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.034 HD12 HG22 ' A' ' 120' ' ' VAL . 46.5 pt -61.0 -28.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 73.55 111.149 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -60.63 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.2 -47.16 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 65.5 110.901 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.472 HD13 HG11 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -51.29 -66.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.894 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CB ' HD11 ' A' ' 101' ' ' LEU . 13.3 m-85 -57.93 -29.56 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 75.21 110.919 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.23 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.02 111.091 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -30.53 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.15 110.904 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -69.55 -51.35 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 62.15 110.847 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.61 -104.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 71.04 112.464 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 m -130.39 145.43 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 70.43 111.107 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.706 HD11 ' CB ' ' A' ' 95' ' ' PHE . 39.4 mt -124.8 147.32 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.883 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -101.49 -26.83 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.912 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.08 151.12 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.907 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.52 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -153.37 107.0 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 64.4 111.083 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.68 157.23 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 73.23 111.148 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 118' ' ' ALA . 9.5 p -127.31 149.39 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.05 111.127 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.909 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.921 0.391 . . . . 72.21 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.82 -24.6 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.936 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.98 -15.62 5.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.676 -0.773 . . . . 14.2 112.491 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 80' ' ' SER . 63.9 p -134.84 142.18 46.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 75.31 111.12 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -122.79 169.77 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.06 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.0 114.97 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.874 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 1.034 HG22 HD12 ' A' ' 91' ' ' ILE . 2.7 t -120.47 125.51 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 74.14 111.094 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.03 114.07 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.883 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -84.84 146.82 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 40.12 110.889 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -83.17 -15.31 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.92 142.97 42.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 64.43 110.871 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.593 ' HD2' HD11 ' A' ' 149' ' ' LEU . 12.1 tpt180 -75.11 -43.94 49.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.859 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 62.44 111.15 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.64 -35.17 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.864 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.429 ' HB1' HD12 ' A' ' 149' ' ' LEU . . . -64.22 -40.28 95.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 32.2 111.108 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -69.77 -46.39 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 62.51 110.91 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -64.07 -40.5 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.05 110.903 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.07 -61.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.075 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -33.05 60.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.04 110.828 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -78.87 -28.22 44.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 74.23 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.93 -11.03 45.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 72.32 110.919 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.05 -43.81 4.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 71.53 110.944 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -50.08 112.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 70.24 110.911 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.09 4.52 33.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 73.43 112.464 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 135' ' ' TYR . 53.5 t -86.22 112.47 46.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 53.44 111.128 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.63 17.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.239 . . . . 62.32 112.378 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.8 tp -124.95 97.81 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.929 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 51.42 35.23 13.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.862 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.68 20.01 32.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 51.23 112.543 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.97 95.19 7.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 71.42 110.819 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.05 4.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 64.32 112.321 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.7 mtp -63.6 146.74 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 74.03 110.828 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -135.5 108.88 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 55.01 110.901 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.62 135.5 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.108 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.65 114.36 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.12 110.937 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 77' ' ' LEU . 8.5 tt -74.48 131.28 40.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 70.52 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 73.0 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 61.22 111.146 179.834 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.539 ' CH2' HG23 ' A' ' 86' ' ' VAL . 65.5 t90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.727 0.298 . . . . 70.31 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.52 -25.17 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 54.02 111.103 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -69.31 -55.63 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 73.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -50.65 -49.38 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.872 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.472 HG11 HD13 ' A' ' 94' ' ' LEU . 6.5 p -66.8 -37.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.45 111.11 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -58.98 -40.14 83.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.856 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.2 -42.24 56.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.87 -44.78 78.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 53.34 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 64.01 111.1 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.523 -0.231 . . . . 73.2 112.523 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 150' ' ' VAL . . . -163.98 152.64 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 74.11 111.085 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -86.8 122.71 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.75 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.3 mm? -106.18 121.41 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.872 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 tp -98.51 126.05 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 61.43 110.875 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.582 ' CG1' HD23 ' A' ' 82' ' ' LEU . 89.8 t -105.19 142.79 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 54.02 111.092 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 117' ' ' THR . 19.3 m -149.1 161.57 41.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.862 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.89 45.06 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 64.22 110.906 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -110.36 159.35 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.962 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.61 177.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.805 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -93.78 -5.31 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 55.34 110.917 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.01 -15.09 56.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 71.51 112.518 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 82' ' ' LEU . 7.1 p -49.11 146.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 74.41 111.177 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.64 159.44 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.794 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.57 -49.82 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 71.42 110.82 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.49 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 50.23 111.101 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -52.04 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 60.4 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.703 HD12 ' CG1' ' A' ' 120' ' ' VAL . 17.1 pt -67.01 -37.73 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 62.3 111.142 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.509 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.13 -60.23 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.938 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -47.45 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 73.53 110.83 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.559 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.3 OUTLIER -51.74 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.847 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.731 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.2 m-85 -57.43 -29.98 64.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.878 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.23 72.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 75.02 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.81 -30.67 34.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.943 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -68.33 -52.03 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.885 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.51 -99.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.805 -0.712 . . . . 70.22 112.52 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -142.88 134.3 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 44.41 111.113 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 95' ' ' PHE . 66.2 mt -109.86 149.58 29.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 62.23 110.892 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -103.2 -27.42 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 154.7 26.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 62.15 110.918 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.35 129.48 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.31 111.152 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.99 157.35 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 72.13 111.125 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.77 149.5 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.869 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.912 0.387 . . . . 74.22 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.74 -25.26 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 63.52 110.898 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.78 -1.01 7.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 44.22 112.427 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 80' ' ' SER . 11.7 p -142.56 142.07 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 60.12 111.145 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -124.61 169.84 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 63.24 111.051 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.03 125.4 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 53.11 110.807 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.703 ' CG1' HD12 ' A' ' 91' ' ' ILE . 1.3 m -140.28 142.13 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 51.4 111.117 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -95.1 126.98 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 71.42 110.812 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 101' ' ' LEU . 13.1 m-85 -93.52 139.42 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 53.34 110.823 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.82 -24.97 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 71.4 110.88 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.2 142.07 47.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 64.3 110.948 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.26 62.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.12 110.893 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -63.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 65.52 111.118 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.37 -34.02 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 61.12 110.842 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.75 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -68.53 -45.77 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 53.35 111.134 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -60.64 -49.5 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.874 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.98 -41.17 97.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.913 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.43 -62.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 63.44 111.102 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -31.74 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.906 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -77.23 -29.76 54.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.951 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -89.65 -12.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 61.32 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.6 m-30 -103.89 -42.43 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.941 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -50.77 112.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.811 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 2.64 31.04 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 61.43 112.51 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' B' ' 116' ' ' ALA . 54.1 t -83.15 112.64 40.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 70.31 111.079 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 132.16 22.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.653 2.235 . . . . 64.31 112.352 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.867 HD11 HG22 ' B' ' 112' ' ' VAL . 0.4 OUTLIER -132.85 98.22 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.903 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.9 t0 54.3 38.04 28.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 65.44 110.85 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.98 21.04 51.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.4 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -140.9 95.5 7.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 73.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 115.77 4.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 74.42 112.354 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.8 mtp -60.1 147.39 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.0 107.63 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 61.34 110.843 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.439 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.0 mp -109.27 140.61 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 75.51 111.172 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.69 127.38 48.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.873 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.646 HD22 ' N ' ' A' ' 150' ' ' VAL . 1.0 OUTLIER -86.97 117.08 25.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.957 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.646 ' N ' HD22 ' A' ' 149' ' ' LEU . 55.6 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.688 ' O ' HG23 ' B' ' 112' ' ' VAL . 60.1 t90 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.794 0.331 . . . . 74.02 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -71.23 -31.92 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 63.2 111.033 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.79 -58.89 5.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 62.11 110.824 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -51.01 -34.07 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.841 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.867 HG22 HD11 ' A' ' 140' ' ' LEU . 92.1 t -67.58 -60.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.24 111.14 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -57.26 -24.79 57.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.49 -46.1 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 62.35 110.82 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.9 72.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 43.51 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 65.11 111.123 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.509 -0.236 . . . . 64.31 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.66 164.47 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 74.12 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -100.56 113.88 27.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.52 110.843 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.689 HD21 ' HB1' ' A' ' 128' ' ' ALA . 1.9 mm? -97.78 129.17 44.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.879 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 118' ' ' ALA . 48.5 tp -109.48 126.21 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.51 110.903 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.7 t -103.65 146.47 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.18 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 117' ' ' THR . 58.3 p -149.92 158.85 44.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.872 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t30 64.44 44.32 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.729 HD13 HG11 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -107.44 159.5 16.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 60.25 110.919 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.632 ' CG ' HD23 ' A' ' 140' ' ' LEU . 25.5 m-20 -55.25 177.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.835 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -93.13 -10.99 33.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.903 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.05 -17.02 66.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 64.12 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 82' ' ' LEU . 11.6 p -49.57 146.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 65.43 111.145 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.45 165.29 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 64.32 110.914 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.62 -60.03 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.888 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.91 76.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.11 111.097 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.871 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.917 HD12 HG22 ' A' ' 120' ' ' VAL . 44.7 pt -61.66 -28.98 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.34 111.11 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -60.79 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.51 110.95 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.4 -47.27 86.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 61.05 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.48 HD13 ' CG1' ' B' ' 112' ' ' VAL . 0.4 OUTLIER -51.42 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.897 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.711 ' CB ' HD11 ' A' ' 101' ' ' LEU . 11.4 m-85 -57.76 -29.36 64.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.886 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.42 70.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.092 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -30.08 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -69.98 -49.61 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 63.12 110.842 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.09 -106.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 63.23 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -129.91 143.55 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 70.33 111.158 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.711 HD11 ' CB ' ' A' ' 95' ' ' PHE . 38.6 mt -122.46 147.75 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -28.01 11.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.864 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -156.99 149.03 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 72.12 110.921 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.41 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -156.38 112.16 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 65.41 111.096 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.31 156.26 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 55.11 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.16 149.66 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 75.21 111.062 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 53.1 110.845 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.909 0.385 . . . . 41.43 110.816 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.98 -27.8 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 71.32 110.934 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.43 -11.03 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.788 -0.72 . . . . 71.3 112.504 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 80' ' ' SER . 52.3 p -140.72 141.84 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 52.35 111.119 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -121.76 166.3 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 64.32 111.124 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -127.43 131.5 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.917 HG22 HD12 ' A' ' 91' ' ' ILE . 2.3 t -141.45 125.03 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 74.2 111.081 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -95.19 119.44 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.817 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -90.1 145.33 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 62.02 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -79.87 -15.73 56.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 52.25 110.909 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.71 136.38 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 74.32 110.875 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -31.22 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.02 -64.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.04 111.085 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.68 -34.53 59.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 61.42 110.777 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.689 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -68.73 -60.17 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 52.32 111.08 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.85 HD23 HD22 ' A' ' 149' ' ' LEU . 0.9 OUTLIER -47.75 -51.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 65.44 110.943 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.4 -43.16 98.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 60.43 110.882 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.7 -61.66 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 31.22 111.128 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 77' ' ' LEU . 1.3 ptt? -59.79 -29.64 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.913 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -74.46 -30.19 61.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -17.29 26.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.975 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.5 m-30 -96.22 -43.91 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.913 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -49.64 112.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 72.1 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.24 3.24 29.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 53.32 112.486 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' B' ' 116' ' ' ALA . 52.8 t -85.02 112.75 45.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 72.25 111.135 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 129.42 17.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 54.25 112.304 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.632 HD23 ' CG ' ' A' ' 83' ' ' ASP . 6.2 tp -125.08 97.94 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.25 33.96 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 53.2 110.928 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.43 19.75 31.71 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.652 -0.785 . . . . 41.32 112.431 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -141.11 98.66 6.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 70.32 110.9 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.23 4.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.252 . . . . 64.11 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -62.96 143.08 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.863 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -132.38 108.27 9.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.859 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.64 144.53 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 74.52 111.152 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.98 144.42 48.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 71.31 110.862 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.85 HD22 HD23 ' A' ' 129' ' ' LEU . 1.0 OUTLIER -95.15 130.61 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 61.42 110.915 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.12 111.137 179.807 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.554 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 64.2 t90 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.819 0.342 . . . . 75.43 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.51 -22.76 50.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 53.15 111.118 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -56.86 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.88 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -50.06 -49.0 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 64.5 110.815 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.48 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.3 p -66.8 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 45.25 111.174 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -66.4 -40.33 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 50.44 110.816 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.54 -28.69 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.91 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.68 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 72.12 111.115 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.54 111.095 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.565 -0.214 . . . . 72.23 112.565 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.58 167.42 21.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 72.43 111.086 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -104.89 113.53 27.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 61.4 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.832 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -93.59 140.31 29.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 70.33 110.874 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.06 109.38 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.929 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 71.32 111.147 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.471 ' HA ' HG22 ' A' ' 117' ' ' THR . 50.5 m -146.39 158.52 43.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 61.32 110.858 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.77 44.95 4.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 72.53 110.922 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -106.95 161.68 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.895 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.81 177.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 63.35 110.866 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -96.88 5.98 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.54 110.838 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.95 -4.81 44.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 44.31 112.535 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.842 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 13.8 t -51.54 147.76 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.342 . . . . 53.13 111.146 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.34 160.21 43.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 70.41 110.893 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -56.04 10.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.902 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.35 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.14 111.153 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -54.49 45.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.872 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.85 HD12 HG22 ' A' ' 120' ' ' VAL . 32.7 pt -67.29 -31.39 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.149 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -61.65 -61.38 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 54.14 110.947 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.0 -47.62 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.23 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.53 110.891 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.743 ' HB2' HD11 ' A' ' 101' ' ' LEU . 12.6 m-85 -59.52 -27.6 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.88 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.3 71.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.42 111.078 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.73 -30.58 56.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 52.35 110.877 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -68.74 -51.05 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.823 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.56 -100.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 73.1 112.426 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -134.7 143.75 47.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 64.41 111.128 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' A' ' 95' ' ' PHE . 43.0 mt -120.23 144.65 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 73.2 110.913 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -99.7 -27.01 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 54.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 157.85 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.847 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.444 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -156.23 131.76 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 65.51 111.088 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.55 154.45 42.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 34.43 111.08 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -131.77 139.88 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 73.15 111.101 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.516 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 60.52 110.971 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.917 0.389 . . . . 43.3 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 107' ' ' ASP . 5.5 mt -73.84 -20.91 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 72.01 110.918 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.06 -15.83 6.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.671 -0.776 . . . . 71.43 112.56 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 80' ' ' SER . 35.4 p -137.14 141.91 42.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 64.44 111.16 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.569 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -126.82 168.12 14.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 70.23 111.073 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.29 125.64 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 44.11 110.867 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.85 HG22 HD12 ' A' ' 91' ' ' ILE . 3.1 t -128.13 131.2 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 62.11 111.102 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -96.59 114.18 25.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.54 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.3 m-85 -86.99 140.82 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 65.52 110.91 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.92 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 63.22 110.833 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 146.07 49.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -74.68 -35.4 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 73.53 110.824 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.98 -63.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 75.52 111.149 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.11 -28.08 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 62.45 110.912 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.832 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.59 -45.68 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.2 tm? -68.62 -44.51 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.01 110.927 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -64.53 -45.27 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.913 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.86 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.181 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -34.28 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.859 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -78.12 -27.68 48.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 72.11 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -10.97 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.2 110.94 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.87 -42.42 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.915 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -50.94 112.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 74.32 110.93 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.68 2.87 34.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 63.13 112.515 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' B' ' 116' ' ' ALA . 54.1 t -85.14 112.81 46.24 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 121.597 0.713 . . . . 62.43 111.115 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 129.91 18.38 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.737 2.291 . . . . 52.14 112.276 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.491 HD13 HG22 ' B' ' 112' ' ' VAL . 9.8 tp -125.4 97.92 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.846 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.3 t70 51.75 35.33 14.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.822 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.21 20.13 33.81 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 34.31 112.498 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -141.21 95.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.571 0.701 . . . . 62.35 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 116.12 4.4 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.684 2.256 . . . . 75.05 112.4 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.8 mtp -64.37 149.01 49.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 75.3 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -138.44 107.53 6.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.89 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 147' ' ' ILE . 5.2 mp -106.55 132.52 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 73.02 111.169 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.87 115.94 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.755 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.5 tt -76.89 127.14 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.933 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 71.41 111.09 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.842 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 66.7 t90 . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.771 0.32 . . . . 74.43 110.936 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.11 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 65.14 111.086 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -54.22 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 54.22 110.898 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -52.03 -38.82 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.812 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 108' ' ' TRP . 72.3 t -70.18 -56.1 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.12 111.187 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -54.0 -32.92 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 64.11 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.79 -41.65 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.24 111.157 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.591 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.09 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.512 -0.235 . . . . 54.44 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.07 177.02 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 51.04 111.016 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -108.94 113.99 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.906 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 149' ' ' LEU . 4.3 mm? -98.44 121.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.92 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.92 114.56 28.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 55.53 110.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.448 ' CG1' HD23 ' A' ' 82' ' ' LEU . 45.6 t -94.46 137.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 74.01 111.163 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 117' ' ' THR . 54.6 p -141.14 158.2 44.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 60.22 110.825 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.72 49.5 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.21 110.894 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -111.89 160.73 17.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.961 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.558 ' CG ' HD23 ' A' ' 140' ' ' LEU . 66.6 m-20 -53.43 174.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.893 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -92.39 8.59 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.918 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.97 -13.9 18.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.756 -0.735 . . . . 75.03 112.517 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.766 HG11 HD13 ' A' ' 82' ' ' LEU . 7.7 p -50.33 148.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 73.55 111.103 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.71 166.78 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.875 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -58.76 5.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.921 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.71 77.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.02 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.0 -61.37 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.49 HD12 ' HB ' ' A' ' 120' ' ' VAL . 38.7 pt -59.98 -30.58 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 63.12 111.126 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.43 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -59.8 -61.13 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 60.34 110.926 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.61 -47.84 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.815 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.2 OUTLIER -51.2 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.968 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.733 ' HB2' HD11 ' A' ' 101' ' ' LEU . 30.7 m-85 -58.41 -29.68 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 74.34 110.881 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.96 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 70.1 111.076 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -54.42 -31.42 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.03 110.939 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -67.15 -51.48 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 62.5 110.887 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.54 -100.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.716 . . . . 72.34 112.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.5 m -143.05 132.64 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 63.22 111.143 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 95' ' ' PHE . 82.3 mt -108.47 158.21 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 63.23 110.947 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -110.19 -35.34 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 151.1 32.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.99 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -155.7 128.59 8.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 73.51 111.109 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.18 157.2 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 65.44 111.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.52 152.69 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.13 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 61.35 110.819 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.873 0.368 . . . . 75.54 110.814 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.2 -25.6 59.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.958 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 131.91 -8.16 5.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 71.51 112.466 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 80' ' ' SER . 59.4 p -143.57 142.08 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 73.34 111.165 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -117.09 169.72 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 53.31 111.081 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -139.86 108.47 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 72.22 110.88 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -124.4 131.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 70.42 111.19 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.56 119.24 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.836 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.98 151.11 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 72.34 110.886 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.24 -19.03 51.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.24 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 145.07 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 72.43 110.865 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.465 HH21 HD23 ' A' ' 129' ' ' LEU . 11.4 tpt180 -70.12 -36.78 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.849 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.87 -64.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 70.11 111.092 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.94 -31.64 63.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.864 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.671 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -63.12 -41.67 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.149 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.465 HD23 HH21 ' A' ' 125' ' ' ARG . 2.3 tm? -71.36 -48.37 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.924 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -62.88 -42.38 99.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 51.42 110.824 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.46 -61.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 71.35 111.092 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -32.53 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 43.44 110.876 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -80.56 -28.01 37.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.93 -10.18 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 61.55 110.836 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' A' ' 94' ' ' LEU . 3.3 m-30 -108.88 -43.36 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.948 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -49.56 112.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 65.51 110.925 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 106.73 4.5 36.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 70.11 112.475 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' B' ' 116' ' ' ALA . 51.6 t -86.26 112.33 45.19 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.676 0.75 . . . . 70.44 111.088 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 129.55 17.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.686 2.257 . . . . 74.22 112.365 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.558 HD23 ' CG ' ' A' ' 83' ' ' ASP . 6.8 tp -124.5 97.98 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.52 110.898 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 52.41 33.72 13.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.854 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.02 19.82 29.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 53.44 112.49 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.15 97.94 6.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 75.4 110.93 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 74.14 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.29 144.04 56.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 74.33 110.835 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -133.82 111.33 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 63.44 110.841 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.562 ' CG2' HD12 ' A' ' 77' ' ' LEU . 4.8 mp -105.73 137.42 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 70.41 111.084 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.49 115.78 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.85 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.684 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.3 tm? -75.57 114.42 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.93 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.56 ' N ' HD22 ' A' ' 149' ' ' LEU . 97.5 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 71.11 111.141 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.464 ' CH2' HG23 ' A' ' 86' ' ' VAL . 61.9 t90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.826 0.345 . . . . 75.2 110.962 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -81.94 -22.69 36.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 75.02 111.097 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.68 -57.16 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 54.12 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.46 -49.5 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.856 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.5 p -67.86 -36.45 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 71.44 111.14 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -58.35 -41.95 85.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.937 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.2 -41.94 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 55.5 110.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.8 73.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 71.34 111.113 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 31.41 111.121 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.519 -0.232 . . . . 65.55 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.58 169.35 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 72.13 111.106 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -110.06 113.26 25.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.921 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.826 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.9 mm? -92.87 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 74.41 110.945 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 tp -120.69 110.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.939 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.0 t -90.54 144.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 54.21 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.474 ' CB ' HG22 ' A' ' 117' ' ' THR . 87.4 p -149.02 156.6 42.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.791 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 64.51 47.04 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 72.32 110.959 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.596 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -107.37 163.48 13.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 53.34 110.886 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.549 ' CG ' HD23 ' A' ' 140' ' ' LEU . 80.9 m-20 -54.2 176.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.837 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -96.11 6.4 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.78 -1.06 36.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 75.12 112.495 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.83 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 15.7 t -53.89 147.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 74.1 111.14 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.36 158.9 44.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 62.22 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -57.47 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 53.13 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.61 78.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 53.42 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -56.81 17.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.894 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.882 HD12 HG22 ' A' ' 120' ' ' VAL . 43.2 pt -66.18 -29.83 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.33 111.133 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.66 -60.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.923 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.24 -47.1 87.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.922 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.432 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.3 OUTLIER -50.6 -66.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.936 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.69 ' CB ' HD11 ' A' ' 101' ' ' LEU . 11.2 m-85 -59.26 -29.64 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.83 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.78 71.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 54.42 111.159 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.82 -32.18 60.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -67.17 -50.42 61.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.887 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.86 -103.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 74.43 112.486 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -130.81 146.93 52.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 75.41 111.18 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 95' ' ' PHE . 42.2 mt -125.93 142.56 51.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 72.02 110.95 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.46 -28.42 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.87 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.539 ' NZ ' ' HB2' ' A' ' 105' ' ' ALA . 16.9 tptp -163.39 155.45 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 72.03 110.937 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.482 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -154.81 115.65 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 62.02 111.134 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.539 ' HB2' ' NZ ' ' A' ' 103' ' ' LYS . . . -133.57 157.57 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 63.22 111.049 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.7 p -131.62 145.61 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.141 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 65.44 110.872 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.914 0.387 . . . . 53.24 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.4 -30.12 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 70.32 110.938 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.39 -15.6 3.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.679 -0.772 . . . . 22.02 112.43 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.474 HG22 ' CB ' ' A' ' 80' ' ' SER . 69.4 p -139.88 141.4 36.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 72.04 111.139 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.429 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -120.51 167.9 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 64.22 111.146 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -132.39 123.98 27.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 64.21 110.875 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.882 HG22 HD12 ' A' ' 91' ' ' ILE . 2.3 t -133.03 127.5 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 74.22 111.134 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 13.8 m-70 -95.75 118.58 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 72.25 110.825 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.611 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.0 m-85 -87.7 136.46 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.832 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.15 -15.6 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 74.15 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.05 145.12 35.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.856 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -31.85 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.879 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.19 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.45 111.024 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.21 -24.89 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 75.31 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.826 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -69.62 -50.27 46.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.03 111.076 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.5 tm? -67.24 -42.17 84.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 70.22 110.927 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -65.0 -44.8 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 75.05 110.899 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.98 -61.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 65.21 111.106 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -34.48 50.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 73.51 110.879 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.96 -27.8 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 73.51 110.943 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -10.77 45.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 70.34 110.947 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.52 -43.87 4.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.931 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -49.9 112.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.889 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.81 3.49 34.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 63.1 112.477 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.8 t -86.14 112.63 47.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.489 0.662 . . . . 73.43 111.13 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 129.68 18.03 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.65 2.234 . . . . 74.42 112.384 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 83' ' ' ASP . 7.9 tp -124.06 97.69 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 64.24 110.887 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 51.72 34.29 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 71.43 110.902 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.88 19.7 30.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 71.13 112.512 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.19 96.17 7.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.681 0.753 . . . . 74.41 110.876 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.251 . . . . 73.22 112.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mtp -65.14 145.98 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.878 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -134.99 110.1 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.912 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -107.45 134.97 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.12 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 115.69 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 51.22 110.876 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.763 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.4 tt -76.67 126.78 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.914 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 55.51 111.157 179.836 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.83 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 56.8 t90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.771 0.32 . . . . 73.1 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.26 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 72.04 111.103 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.96 -56.97 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.805 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -49.49 -49.58 45.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.425 HG11 HD13 ' A' ' 94' ' ' LEU . 6.2 p -67.77 -36.92 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 52.44 111.122 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -58.22 -41.61 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.834 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -76.49 -41.75 45.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.49 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 64.43 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.164 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.416 -0.273 . . . . 43.45 112.416 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.56 169.89 18.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 71.2 111.091 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -110.33 114.05 27.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.852 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.791 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -94.51 140.6 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.934 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 tp -120.79 110.82 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.02 110.964 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -90.55 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.13 111.157 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.497 ' HA ' HG22 ' A' ' 117' ' ' THR . 21.6 m -145.75 154.99 42.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.812 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 t30 65.21 44.78 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 72.1 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.604 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -107.49 156.75 18.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.909 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.499 ' O ' HG12 ' A' ' 86' ' ' VAL . 5.8 t70 -57.76 175.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 62.45 110.843 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.16 -26.99 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.03 110.894 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.76 65.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 52.53 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.604 HG11 HD13 ' A' ' 82' ' ' LEU . 7.4 p -51.24 145.6 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 71.43 111.137 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -149.98 167.09 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.15 110.833 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -60.06 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 62.35 110.916 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.99 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.51 111.07 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -58.98 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 55.35 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.034 HD12 HG22 ' A' ' 120' ' ' VAL . 46.9 pt -62.37 -29.0 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 50.11 111.179 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -60.68 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 71.11 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.35 -47.29 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.58 -65.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 52.33 110.916 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.726 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.3 m-85 -58.83 -27.95 65.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.932 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.65 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 72.42 111.129 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -53.53 -30.39 41.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 61.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -69.02 -51.77 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 61.4 110.89 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.21 -109.39 0.27 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.728 -0.749 . . . . 72.12 112.49 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.2 m -132.05 132.4 43.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 72.22 111.092 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 95' ' ' PHE . 51.6 mt -111.77 152.39 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.926 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -107.96 -32.4 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 72.11 110.9 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 6.1 tptt -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.885 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.571 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -155.99 120.77 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 73.24 111.12 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.75 45.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 70.3 111.028 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.59 140.7 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 70.44 111.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 64.55 110.806 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.889 0.376 . . . . 63.3 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.2 mt -55.18 -26.71 40.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 74.04 110.893 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 -6.12 7.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 64.23 112.464 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 80' ' ' SER . 43.0 p -140.05 142.02 36.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 30.43 111.191 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -121.97 164.15 18.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 42.25 111.127 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -130.02 121.51 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 62.04 110.808 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 1.034 HG22 HD12 ' A' ' 91' ' ' ILE . 2.6 t -130.99 125.22 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.145 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 10.1 m-70 -94.94 113.98 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.856 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.597 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.5 m-85 -82.6 149.1 27.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.92 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -78.01 -15.59 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 61.51 110.971 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 147.42 39.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 74.52 110.898 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -74.67 -35.19 62.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 72.31 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.65 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 53.12 111.173 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -53.45 -28.39 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.838 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.791 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.96 -44.03 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 70.31 111.086 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.1 tm? -68.4 -45.64 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.22 110.931 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -64.7 -45.54 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.935 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.96 -61.64 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 34.43 111.101 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.67 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 74.2 110.821 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -78.19 -27.34 47.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.84 -10.87 43.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 72.24 110.948 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -108.04 -44.15 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.915 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -49.99 112.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 75.01 110.894 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.28 3.63 35.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 63.31 112.518 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.3 t -86.31 112.48 46.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 72.3 111.03 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.19 20.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 44.13 112.386 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.532 HD13 HG22 ' B' ' 112' ' ' VAL . 9.4 tp -127.18 97.73 5.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 71.55 110.91 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.5 36.52 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.854 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.52 20.23 38.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.34 112.535 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 4.6 mmp_? -141.11 94.84 7.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 71.52 110.894 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 143' ' ' ARG . 53.8 Cg_endo -69.66 116.34 4.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.31 112.389 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.12 145.17 56.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 75.32 110.878 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -135.45 111.55 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.41 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 77' ' ' LEU . 4.8 mp -105.83 142.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 75.15 111.138 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.85 118.46 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.944 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.694 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.1 tm? -79.98 116.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 64.22 110.932 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.612 ' N ' HD22 ' A' ' 149' ' ' LEU . 45.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 65.45 111.109 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.593 ' O ' HG23 ' B' ' 112' ' ' VAL . 66.8 t90 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.73 0.3 . . . . 74.24 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -76.68 -33.35 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 34.44 111.077 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.39 -54.66 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.51 110.818 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -51.39 -39.1 56.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.904 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 108' ' ' TRP . 62.3 t -69.67 -46.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.112 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.591 ' HG3' HD12 ' A' ' 94' ' ' LEU . 58.6 mtm180 -58.17 -34.81 70.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 65.35 110.964 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -76.4 -47.27 23.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.936 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 71.1 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 42.33 111.123 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.245 . . . . 72.51 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.63 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 52.5 111.054 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -111.47 113.61 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.2 110.912 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.797 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -96.99 122.05 39.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 63.42 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.92 116.72 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.44 110.867 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.439 ' CG1' HD23 ' A' ' 82' ' ' LEU . 44.7 t -95.63 137.15 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 53.21 111.159 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.707 ' HA ' HG22 ' A' ' 117' ' ' THR . 93.7 p -140.9 155.93 46.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 65.21 110.837 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t30 64.12 49.44 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 71.12 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.713 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -110.38 159.56 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.933 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -52.03 171.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.855 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -90.36 7.33 39.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.941 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.63 -14.27 22.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.655 -0.783 . . . . 61.4 112.502 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 82' ' ' LEU . 8.3 p -49.72 147.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 74.15 111.153 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -149.67 164.62 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 63.32 110.824 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -59.23 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 61.21 110.873 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.96 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.52 111.074 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 61.23 110.857 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.7 pt -61.43 -32.31 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.04 111.088 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.453 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -57.69 -60.99 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.52 110.867 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.66 -47.82 83.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.832 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.521 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.68 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 65.43 110.924 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.718 ' HB2' HD11 ' A' ' 101' ' ' LEU . 29.4 m-85 -59.4 -28.07 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 64.13 110.9 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -64.13 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.193 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -30.55 43.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.928 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -67.34 -52.4 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.05 110.838 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.48 -108.86 0.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.834 -0.698 . . . . 65.21 112.519 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -133.21 124.4 27.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 54.12 111.115 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 95' ' ' PHE . 52.6 mt -99.89 158.29 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.949 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -113.01 -36.23 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.858 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 143.5 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.932 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.453 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -149.71 121.39 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 70.1 111.112 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.14 44.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 72.3 111.123 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -125.26 151.61 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.21 111.119 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.536 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.858 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.888 0.375 . . . . 54.33 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 107' ' ' ASP . 8.0 mt -72.09 -19.98 61.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 53.02 110.935 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.2 -13.52 8.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 52.32 112.553 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 80' ' ' SER . 81.5 p -139.68 141.82 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 53.35 111.072 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -115.46 169.25 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.147 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.08 107.91 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.826 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.655 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -126.34 127.1 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 54.55 111.146 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -95.54 122.87 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.572 ' CD1' HD23 ' A' ' 77' ' ' LEU . 4.8 m-85 -81.61 149.7 28.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.908 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -75.62 -18.51 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.919 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.22 144.05 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.846 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -33.51 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.2 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.19 -64.22 0.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 61.25 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.49 -26.2 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 70.43 110.837 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.797 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.88 -49.11 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 73.54 111.08 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.5 tm? -67.47 -42.06 83.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 71.33 110.924 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -65.78 -47.33 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.43 110.882 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.92 -61.1 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 72.13 111.082 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -77.42 -26.85 52.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.34 -12.71 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 72.51 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.7 m-30 -105.92 -44.02 4.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.902 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -50.0 111.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 64.43 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.44 7.31 32.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 64.13 112.521 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 135' ' ' TYR . 55.9 t -89.69 110.95 43.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 64.11 111.121 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.635 2.223 . . . . 72.2 112.337 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.461 HD13 HG22 ' B' ' 112' ' ' VAL . 6.9 tp -127.01 98.12 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.948 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.45 35.1 19.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 65.42 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.31 21.55 34.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 75.33 112.476 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.14 92.54 8.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.516 0.674 . . . . 73.22 110.793 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.91 4.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 44.21 112.345 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.418 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.9 mtp -66.32 145.23 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.02 110.927 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -133.96 109.16 8.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 71.23 110.924 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.418 HD11 ' HE3' ' A' ' 145' ' ' MET . 5.2 mp -106.03 135.2 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 75.5 111.133 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.85 115.6 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.966 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.734 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.1 tt -72.41 126.89 30.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 61.01 110.892 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.12 179.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.662 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 49.0 t90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.781 0.324 . . . . 74.24 110.929 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -65.58 -23.02 66.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 63.52 111.123 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.36 -48.55 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 64.51 110.845 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -51.85 -49.71 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.927 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.461 HG22 HD13 ' A' ' 140' ' ' LEU . 13.8 t -65.11 -50.25 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 61.05 111.173 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -51.65 -42.64 62.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 71.1 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.65 -51.3 28.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 51.23 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.62 -39.46 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.33 111.138 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 54.1 111.081 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.473 -0.251 . . . . 61.25 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.37 171.66 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 63.34 111.124 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -111.77 113.6 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 72.51 110.912 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 149' ' ' LEU . 3.9 mm? -95.23 138.74 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.23 110.859 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.8 112.71 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.6 t -91.41 142.37 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 73.45 111.058 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.404 ' HA ' HG22 ' A' ' 117' ' ' THR . 83.2 p -146.0 156.72 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 73.55 110.866 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t30 64.11 46.41 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 61.03 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.679 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.12 159.77 16.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 70.3 110.92 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.23 177.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.883 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -92.71 -10.87 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.41 110.845 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.1 -16.51 67.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 61.24 112.493 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.679 HG11 HD13 ' A' ' 82' ' ' LEU . 11.5 p -50.36 145.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 72.25 111.11 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -149.57 166.17 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 55.01 110.778 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -60.6 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 72.4 110.833 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.75 75.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.2 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.57 -60.77 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.41 110.857 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.024 HD12 HG22 ' A' ' 120' ' ' VAL . 43.9 pt -61.25 -29.05 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 43.42 111.135 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -60.89 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 70.22 110.937 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -61.42 -46.96 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 54.52 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.406 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.27 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 70.34 110.893 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.8 m-85 -59.13 -28.02 66.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.35 71.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 71.42 111.074 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -53.21 -30.96 40.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.3 110.854 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -69.44 -48.67 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 62.34 110.879 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.66 -118.72 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 71.14 112.488 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -127.8 115.4 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 74.15 111.154 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 78.6 mt -89.39 157.49 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 64.03 110.914 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.65 -34.05 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -153.31 147.63 25.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.844 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.582 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -155.87 124.0 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 34.34 111.081 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.49 151.99 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.079 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.64 152.18 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.35 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.808 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.899 0.38 . . . . 74.53 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -55.69 -27.63 51.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 71.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.73 -15.96 4.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 72.51 112.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 80' ' ' SER . 45.2 p -137.12 141.85 42.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 44.42 111.124 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.26 164.4 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 54.34 111.096 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -128.77 122.3 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 60.44 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 1.024 HG22 HD12 ' A' ' 91' ' ' ILE . 2.4 t -131.5 123.49 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.14 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 11.3 m-70 -94.91 114.56 26.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.14 110.787 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.632 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.1 m-85 -82.17 150.05 27.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.827 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.53 -12.58 56.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 75.33 110.881 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.11 145.15 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.868 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.535 ' CD ' HD21 ' A' ' 149' ' ' LEU . 18.9 tpp85 -74.96 -43.78 52.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 72.45 110.894 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.39 -62.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.51 111.087 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -29.46 70.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 44.23 110.837 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -63.56 -51.72 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.25 111.109 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.0 tm? -68.59 -39.85 80.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 64.03 110.914 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.49 -47.06 77.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.877 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.45 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.52 111.121 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -34.74 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 41.33 110.878 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -78.02 -27.48 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.86 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -88.96 -11.0 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 52.42 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -107.63 -43.87 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 61.43 110.91 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.85 112.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 75.31 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.11 0.92 29.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 70.41 112.521 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 135' ' ' TYR . 70.7 t -84.02 112.84 43.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 65.41 111.151 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 131.87 22.04 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 73.22 112.372 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 tp -128.72 97.86 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 51.85 36.92 19.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.45 110.848 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.63 20.17 41.64 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 75.23 112.517 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -141.02 94.34 7.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 74.22 110.939 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.07 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.801 2.334 . . . . 73.33 112.357 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.2 mtp -63.07 144.51 56.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 61.13 110.884 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.25 109.03 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.42 110.966 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.8 135.28 44.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 75.14 111.127 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.56 115.49 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.33 110.999 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.732 ' HA ' HD13 ' A' ' 77' ' ' LEU . 15.3 tp -76.41 126.83 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 60.12 110.888 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 62.15 111.107 179.84 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.592 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.3 t90 . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.787 0.327 . . . . 72.34 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -74.42 -28.97 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.13 111.037 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.98 -57.03 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.876 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -51.54 -41.48 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 108' ' ' TRP . 61.9 t -64.45 -50.55 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.45 111.093 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.7 -38.24 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.66 -43.1 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.13 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.24 111.038 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.13 111.094 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.491 -0.244 . . . . 32.21 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.84 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 75.55 111.088 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -99.26 112.59 24.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.954 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.649 ' CD1' ' HB1' ' A' ' 128' ' ' ALA . 4.2 mp -92.37 133.66 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.936 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -109.86 117.98 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.975 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.24 143.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 63.22 111.177 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.423 ' HA ' HG22 ' A' ' 117' ' ' THR . 86.2 p -146.44 156.93 43.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 65.22 110.873 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.05 48.1 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.35 110.883 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.598 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -108.85 162.74 13.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.94 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.26 176.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.841 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -95.98 7.31 46.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 65.31 110.924 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.23 -4.29 38.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 61.45 112.481 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.838 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 14.2 t -51.6 147.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 73.42 111.119 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.64 160.3 43.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 60.34 110.886 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.12 -56.58 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.65 77.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 74.11 111.102 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -55.06 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 70.2 110.85 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.872 HD12 HG22 ' A' ' 120' ' ' VAL . 35.9 pt -66.73 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.166 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 -60.68 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.12 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.81 -47.7 85.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 71.34 110.847 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.3 OUTLIER -51.47 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 64.33 110.927 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 12.3 m-85 -58.1 -29.17 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.846 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.066 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.49 -30.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 63.14 110.864 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -70.73 -50.77 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.815 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.17 -114.44 0.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 44.23 112.5 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.3 m -126.36 130.1 50.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 54.32 111.094 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 44.5 mt -106.16 153.76 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.881 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.37 -26.01 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.86 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 161.42 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 73.33 110.963 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -156.31 132.19 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 64.23 111.051 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.94 155.21 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 54.42 111.125 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.2 p -132.65 147.51 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 71.42 111.117 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.913 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.959 0.409 . . . . 71.52 110.82 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -30.66 54.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.96 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.02 -15.52 3.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 73.15 112.574 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 80' ' ' SER . 38.0 p -142.1 141.42 32.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 74.13 111.135 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.593 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -122.83 169.61 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 64.34 111.099 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -133.96 122.85 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.847 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.872 HG22 HD12 ' A' ' 91' ' ' ILE . 2.5 t -123.79 140.95 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -102.96 113.57 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 65.14 110.799 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -89.39 137.13 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.906 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -73.34 -15.68 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.863 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 142.72 33.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.827 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -32.62 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 72.43 110.913 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.71 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.33 111.121 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.53 -34.45 50.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.649 ' HB1' ' CD1' ' A' ' 77' ' ' LEU . . . -71.22 -40.2 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.067 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -62.63 -49.24 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.954 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.81 -38.23 79.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.879 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.85 -56.01 14.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 64.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -34.05 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 44.34 110.894 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -76.12 -28.55 57.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.891 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -16.89 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.51 110.976 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.4 m-30 -99.16 -43.64 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.878 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.74 112.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 72.34 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 1.18 31.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 44.41 112.528 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 135' ' ' TYR . 59.5 t -83.94 112.67 42.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 74.32 111.087 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.95 20.22 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 74.11 112.278 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -127.36 97.85 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.41 110.87 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.06 35.29 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.896 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 92.01 20.09 37.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.812 -0.708 . . . . 60.41 112.502 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.16 95.56 7.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.652 0.739 . . . . 75.4 110.875 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.08 4.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 75.41 112.36 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.9 mtp -63.96 146.92 53.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.903 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -135.92 110.38 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.85 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.413 HD13 ' HB3' ' A' ' 135' ' ' TYR . 5.2 mp -109.32 139.73 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 72.15 111.117 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.43 115.69 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -68.25 136.45 53.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 70.45 110.902 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 64.31 111.146 179.854 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.838 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 58.3 t90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.784 0.326 . . . . 73.24 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.61 -22.76 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 65.04 111.132 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -56.62 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.863 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -49.64 -49.53 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.3 p -68.1 -36.2 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.107 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -59.11 -40.75 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 60.41 110.835 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.43 -41.56 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.19 -39.93 76.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 54.41 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 64.31 111.12 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.519 -0.232 . . . . 42.1 112.519 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.65 163.47 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 75.31 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -97.76 114.14 26.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 64.31 110.831 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.707 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.2 mm? -102.18 128.87 48.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.918 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.23 129.0 56.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.871 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 t -104.14 143.17 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 72.3 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.492 ' HA ' HG22 ' A' ' 117' ' ' THR . 81.3 p -142.28 157.21 45.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 43.52 110.854 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t30 65.22 48.07 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 73.2 110.923 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.62 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -110.62 157.5 19.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.12 110.909 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.547 ' CG ' HD23 ' A' ' 140' ' ' LEU . 35.8 m-20 -55.56 177.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.866 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -93.1 -3.35 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.832 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.46 -17.72 48.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.748 -0.739 . . . . 74.12 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.62 HG11 HD13 ' A' ' 82' ' ' LEU . 7.2 p -50.32 145.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 74.2 111.134 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -146.38 166.01 27.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 72.34 110.859 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -59.39 3.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.86 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.87 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 73.13 111.11 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -59.36 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.884 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.053 HD12 HG22 ' A' ' 120' ' ' VAL . 39.8 pt -62.68 -29.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.43 111.118 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -61.05 -60.96 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.869 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.84 -46.92 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.608 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -50.96 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 65.33 110.913 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.71 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.6 m-85 -58.55 -29.29 66.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.41 111.107 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.9 -30.21 45.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 73.01 110.842 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -69.17 -51.1 41.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.907 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.79 -101.68 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 61.21 112.502 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -135.98 143.09 44.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 64.4 111.136 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.71 HD11 ' CB ' ' A' ' 95' ' ' PHE . 44.9 mt -122.22 145.85 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.88 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -25.8 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 63.23 110.934 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -167.71 155.63 8.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 74.33 110.905 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.624 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -156.25 121.64 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 44.04 111.127 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.21 157.37 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 72.5 111.167 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.32 152.33 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 64.24 111.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.845 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.961 0.41 . . . . 73.22 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' A' ' 107' ' ' ASP . 16.4 mt -64.38 -25.77 68.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.46 -14.13 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 73.52 112.474 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 80' ' ' SER . 67.7 p -139.25 141.77 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 44.24 111.142 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -118.24 165.72 13.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 61.2 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.83 123.72 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 43.21 110.828 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 1.053 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -131.96 126.74 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 44.43 111.124 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -95.66 114.92 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 53.11 110.853 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.86 148.0 26.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.896 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -83.74 -18.19 38.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.88 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 137.75 38.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 61.14 110.842 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -38.1 77.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 63.44 110.886 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 64.34 111.177 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.37 -33.02 63.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 63.25 110.836 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.707 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.68 -45.42 75.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 40.03 111.111 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -63.08 -48.21 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.904 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -63.41 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.885 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.45 -62.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 61.13 111.091 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -31.24 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 73.53 110.832 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -80.08 -28.5 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 73.24 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -10.87 44.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 75.12 110.906 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.01 -42.91 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.873 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -50.8 112.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.41 110.919 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.57 1.73 32.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 74.22 112.52 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 135' ' ' TYR . 61.3 t -84.51 112.8 44.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 74.22 111.121 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.42 21.2 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 73.41 112.356 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.601 ' CD1' HG22 ' B' ' 112' ' ' VAL . 8.2 tp -127.54 97.74 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.943 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.62 36.36 17.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.916 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.79 39.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 72.51 112.469 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 95.41 7.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 73.35 110.888 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 54.14 112.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.1 mtp -64.77 145.27 56.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -135.73 107.85 7.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.533 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.1 mp -105.95 141.71 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.099 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 131.49 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.933 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 77' ' ' LEU . 19.0 tp -88.16 123.84 33.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 71.55 110.845 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.157 179.794 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.568 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 67.5 t90 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.798 0.332 . . . . 71.54 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -80.58 -23.94 39.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.1 111.096 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.71 -60.52 2.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.894 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -50.87 -37.82 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.848 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.601 HG22 ' CD1' ' A' ' 140' ' ' LEU . 99.9 t -69.25 -48.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.08 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.608 ' HG3' HD12 ' A' ' 94' ' ' LEU . 38.0 mtm180 -57.37 -36.72 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.873 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -74.52 -49.74 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.23 110.9 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.2 -41.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 61.01 111.052 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.476 -0.25 . . . . 71.45 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.89 174.06 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 62.31 111.174 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HE2' HG11 ' A' ' 150' ' ' VAL . 37.0 ttpt -110.68 112.86 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.22 110.851 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.839 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm? -95.32 122.49 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.842 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.53 119.93 39.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 62.44 110.908 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 82' ' ' LEU . 47.0 t -100.22 141.14 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.098 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.538 ' HA ' HG22 ' A' ' 117' ' ' THR . 29.7 m -146.72 157.45 43.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 61.33 110.884 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 t30 64.3 49.13 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 73.05 110.925 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -111.46 166.38 11.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.896 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.98 177.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 62.13 110.876 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -97.35 8.24 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.841 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.73 -3.37 34.6 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.743 -0.741 . . . . 63.24 112.378 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.843 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 13.0 t -53.61 148.57 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 74.04 111.153 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.22 160.6 43.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.794 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.86 -54.24 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.23 110.869 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.89 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.133 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.72 -53.74 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.864 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.417 HG13 ' HB1' ' A' ' 104' ' ' ALA . 21.8 pt -67.35 -35.95 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.23 111.154 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.405 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -57.44 -61.07 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.919 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.51 -47.85 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.55 -65.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.861 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CD2' HG11 ' A' ' 120' ' ' VAL . 24.7 m-85 -59.35 -28.52 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 71.25 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -63.55 -31.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 43.15 111.02 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -30.74 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 72.35 110.902 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -66.27 -52.71 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.839 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.73 -97.72 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 53.34 112.543 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -140.64 139.41 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 65.14 111.24 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.68 HD11 ' CB ' ' A' ' 95' ' ' PHE . 55.3 mt -119.21 154.99 32.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 52.32 110.893 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -36.5 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.45 110.874 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -149.4 147.51 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 75.24 110.888 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.417 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -153.88 123.92 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.21 111.11 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.51 157.39 43.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 41.51 111.187 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 p -121.73 144.54 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.105 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 60.22 110.863 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.88 0.371 . . . . 62.42 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -17.85 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 54.24 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.89 -10.27 12.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 71.42 112.453 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 80' ' ' SER . 59.5 p -142.24 141.26 32.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 73.22 111.125 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -114.56 169.84 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.31 111.073 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -139.64 108.56 6.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.13 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.706 HG11 ' CD2' ' A' ' 95' ' ' PHE . 1.2 p -127.8 127.8 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 61.04 111.118 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -96.08 123.37 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 70.32 110.858 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.565 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.8 m-85 -83.39 151.97 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.52 110.898 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.87 -15.67 50.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.875 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.83 136.56 35.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.873 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -32.64 73.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.15 110.829 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 71.54 111.062 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.29 -23.37 48.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 62.33 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.839 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.0 -59.51 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 70.14 111.106 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.3 tm? -58.54 -40.22 82.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 60.13 110.971 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.96 -48.81 72.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 70.33 110.941 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.094 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.411 ' SD ' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -52.92 -34.96 57.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.15 110.853 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -26.02 52.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 63.54 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.99 -14.05 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 63.02 110.912 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.517 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.0 m-30 -105.48 -42.49 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 65.35 110.913 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -50.41 112.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 64.2 110.894 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.09 29.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 75.51 112.462 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' B' ' 116' ' ' ALA . 68.1 t -84.53 112.91 45.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 74.33 111.157 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.85 18.31 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.6 2.2 . . . . 62.51 112.367 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -125.37 97.99 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 t70 52.56 34.73 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.863 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.58 19.74 34.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 60.41 112.529 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.14 97.12 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 65.41 110.85 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 73.12 112.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.563 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.2 mtp -63.15 142.94 58.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.932 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -132.37 107.68 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 61.23 110.905 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.563 HD11 ' HE3' ' A' ' 145' ' ' MET . 3.7 mp -112.36 143.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 63.2 111.082 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.27 144.08 48.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 63.11 110.933 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.753 ' HA ' HD13 ' A' ' 77' ' ' LEU . 8.8 tt -91.1 128.27 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.866 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.432 HG11 ' HE2' ' A' ' 76' ' ' LYS . 58.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 54.12 111.117 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' TRP . . . . . 0.843 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 68.0 t90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.737 0.304 . . . . 72.32 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -78.11 -26.65 48.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 74.13 111.078 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -69.73 -48.41 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.807 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -59.18 -39.79 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.806 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 108' ' ' TRP . 61.6 t -68.09 -60.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 43.14 111.087 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -55.09 -29.65 58.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 54.31 110.847 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.29 -38.18 43.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 71.5 110.918 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.57 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 50.43 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 72.23 111.111 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.2 mtt . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.791 0.329 . . . . 65.45 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 63.02 49.46 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 65.3 111.121 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -94.48 171.24 8.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.832 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -169.13 156.88 7.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 70.42 110.849 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.2 t -143.53 159.34 42.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 72.43 111.139 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.73 -172.07 21.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 64.34 112.415 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.59 144.17 6.5 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.642 -0.789 . . . . 70.45 112.439 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -163.46 118.23 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 64.34 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -84.48 176.85 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.902 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -137.16 178.38 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 44.11 110.89 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.11 -171.39 37.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 73.13 112.501 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -82.41 122.98 28.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 74.44 110.857 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.98 160.54 82.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 55.51 110.91 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 -17.1 38.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 64.12 112.355 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -94.41 18.93 10.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.826 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -106.8 34.4 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.905 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -88.98 178.74 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.91 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -118.01 165.42 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 72.03 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -115.68 36.32 4.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.816 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -87.07 -25.54 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 72.22 110.917 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -86.95 10.81 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 62.34 110.905 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -52.2 162.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -130.26 143.71 50.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 73.32 110.909 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -110.18 -53.67 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 73.03 110.855 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.69 79.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.802 -0.714 . . . . 44.22 112.471 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.4 t -163.38 134.06 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 64.1 110.869 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.85 130.74 3.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.775 -0.726 . . . . 65.53 112.463 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.33 149.12 5.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 70.44 112.483 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.21 -41.25 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 52.33 112.489 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -102.28 -178.52 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 54.4 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.85 -94.09 2.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 63.03 112.476 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.733 ' CG1' HG22 ' A' ' 73' ' ' THR . 5.9 t -140.26 155.45 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 43.32 111.151 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -98.85 27.7 4.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.481 . . . . 72.52 110.898 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.733 HG22 ' CG1' ' A' ' 71' ' ' VAL . 13.1 t -140.44 39.44 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 63.4 111.152 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.79 150.38 5.2 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.736 -0.745 . . . . 54.33 112.437 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.3 161.97 30.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 61.12 111.093 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -103.97 113.57 27.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 73.33 110.843 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.789 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -93.19 139.61 30.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 54.22 110.9 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 tp -118.64 108.49 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 73.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.8 t -90.57 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.09 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.587 ' HA ' HG22 ' A' ' 117' ' ' THR . 54.4 p -144.63 159.52 42.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.31 110.887 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.9 t30 64.11 45.98 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 64.51 110.915 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.686 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.68 158.57 17.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.936 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.488 ' CG ' HD23 ' A' ' 140' ' ' LEU . 49.8 m-20 -55.55 177.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 64.32 110.861 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -93.15 -7.42 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.884 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.24 -17.32 59.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.666 -0.778 . . . . 35.43 112.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 82' ' ' LEU . 10.6 p -50.65 142.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 73.31 111.16 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.0 m -145.68 167.18 23.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 55.41 110.788 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -59.91 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 62.1 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.33 -38.9 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 44.43 111.105 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.83 -60.66 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 63.54 110.848 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.909 HD12 HG22 ' A' ' 120' ' ' VAL . 43.1 pt -61.06 -29.13 45.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 72.2 111.122 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.471 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.47 -61.22 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.908 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.49 -46.93 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.873 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.51 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.16 -66.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 54.25 110.923 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.723 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.6 m-85 -59.64 -27.22 66.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.11 70.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 51.24 111.093 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.92 -30.09 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 52.31 110.873 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -68.28 -50.25 54.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.885 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.97 -102.74 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 71.11 112.438 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.0 m -133.55 138.38 46.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.332 . . . . 72.2 111.149 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 95' ' ' PHE . 41.7 mt -113.86 145.35 41.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.905 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -100.65 -25.38 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.915 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.33 156.72 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 63.31 110.938 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.11 132.06 9.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 52.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.02 157.13 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 74.24 111.099 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 118' ' ' ALA . 9.6 p -132.35 149.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 52.54 111.16 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.62 126.2 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.874 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -117.52 143.56 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 75.44 110.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -87.52 178.48 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 62.13 110.909 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -62.91 -27.18 69.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.91 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -71.95 -22.32 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 74.55 110.878 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.21 29.48 7.52 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 71.4 112.477 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -132.18 153.91 50.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 74.53 110.9 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.87 117.78 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.85 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.88 -31.78 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 61.54 110.89 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.87 -20.97 3.03 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.745 -0.74 . . . . 44.21 112.486 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 80' ' ' SER . 66.4 p -132.79 142.14 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.328 . . . . 71.21 111.183 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.58 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -125.55 166.59 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.23 111.074 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.39 127.3 40.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 62.2 110.887 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.909 HG22 HD12 ' A' ' 91' ' ' ILE . 3.2 t -129.36 127.13 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 75.52 111.118 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.12 115.5 27.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 65.13 110.895 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.617 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.4 m-85 -88.09 139.97 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.04 110.914 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.45 -15.81 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.845 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.65 145.35 42.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.918 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -32.72 62.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -63.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 75.44 111.095 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.25 -28.17 26.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 71.51 110.87 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.789 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -71.14 -57.18 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.15 111.051 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.705 HD23 HD22 ' A' ' 149' ' ' LEU . 1.3 tm? -57.83 -42.52 84.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.828 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.13 -46.15 78.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 61.41 110.934 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.16 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 72.12 111.064 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.539 ' HE3' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.853 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -78.39 -25.57 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 54.04 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -89.39 -10.99 44.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.936 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.1 m-30 -109.76 -41.38 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 71.24 110.883 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -50.75 112.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 65.14 110.888 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.98 5.23 33.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 44.31 112.482 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.728 HG21 ' HB2' ' B' ' 116' ' ' ALA . 53.3 t -87.75 112.68 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.732 . . . . 73.21 111.108 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 131.56 21.49 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.714 2.276 . . . . 75.01 112.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.488 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.9 tp -127.63 97.75 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 50.71 37.02 15.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.857 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.44 20.2 38.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.733 . . . . 61.33 112.485 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -140.88 93.89 8.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 71.51 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.09 4.4 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.72 2.28 . . . . 72.32 112.339 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.4 mtp -65.27 143.23 57.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 44.11 110.901 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -133.57 110.92 10.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 71.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.4 mp -106.06 139.34 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 44.33 111.151 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.71 115.94 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 73.21 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.719 ' HA ' HD13 ' A' ' 77' ' ' LEU . 7.2 tp -76.13 123.75 26.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 63.21 110.887 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.71 126.07 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 53.44 111.085 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.28 100.08 12.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 62.32 111.127 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 57.3 m -91.22 169.73 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 61.24 110.836 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -128.81 156.9 42.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.101 -0.5 . . . . 65.13 110.895 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 74.6 mt -117.4 -31.07 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.155 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.77 139.78 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 61.53 110.847 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 156' ' ' LEU . 2.3 mp -88.77 -31.54 18.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 51.31 110.944 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -96.74 26.85 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 43.44 110.893 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -58.27 148.88 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 64.52 110.885 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -110.52 167.99 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.856 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -122.01 112.51 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 70.21 110.908 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -130.74 -178.7 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 75.32 110.815 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -60.28 139.85 57.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 72.24 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 64.43 110.786 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 121.462 0.479 . . . . 75.11 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -19.98 35.74 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.702 2.268 . . . . 73.35 112.351 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.7 96.08 4.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 71.23 110.908 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.16 131.72 5.53 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.71 -0.757 . . . . 72.45 112.461 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -134.5 96.45 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 61.41 110.83 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -131.29 68.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.863 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 35.0 m -96.92 171.95 8.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 44.35 110.885 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.24 -170.8 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.89 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -55.93 174.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.127 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -69.65 148.1 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.31 110.875 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.656 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.8 t90 -55.85 -26.27 46.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.916 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -77.78 -30.99 51.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 52.24 111.076 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.21 -49.48 67.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 55.11 110.844 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -58.83 -38.74 79.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 44.21 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 108' ' ' TRP . 65.9 t -66.81 -60.11 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.34 111.217 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -54.13 -33.1 56.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 62.54 110.891 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.31 -41.06 63.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.919 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.83 98.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 55.54 111.082 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -76.04 -38.38 57.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.22 111.088 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.26 -45.04 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.11 111.124 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.37 -26.36 60.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -87.74 59.64 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 73.05 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 72.34 110.8 -179.904 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.782 0.325 . . . . 62.34 110.86 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.72 155.21 3.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 31.32 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 p -164.0 170.06 17.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.831 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.88 174.17 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.87 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -140.88 157.34 45.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 71.3 111.16 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.86 -156.12 43.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 72.35 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.36 -30.04 10.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 62.01 112.478 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -101.06 66.73 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 63.41 110.88 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -72.28 88.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.88 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.7 tpt -108.33 135.41 49.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.87 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.52 116.08 1.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 34.34 112.47 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -63.57 163.91 10.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 75.01 110.876 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.05 160.53 43.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.701 . . . . 75.01 110.86 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -16.71 37.73 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.652 2.235 . . . . 63.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -54.83 -29.09 54.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.89 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -77.06 -27.58 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 72.52 110.898 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -70.4 165.17 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 71.24 110.932 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -89.62 89.02 7.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.942 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -109.04 41.73 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.841 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -84.71 -26.44 27.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.873 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.7 mt -86.9 10.58 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 44.2 110.882 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -52.18 161.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.87 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -149.48 167.21 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.51 110.868 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -164.39 84.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 53.14 110.843 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.65 101.8 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.727 . . . . 52.12 112.477 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 t -159.11 155.96 28.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.865 0.364 . . . . 75.42 110.88 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.78 -67.47 1.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 74.2 112.494 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.75 -162.17 12.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.668 -0.777 . . . . 55.4 112.468 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.41 50.67 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 75.12 112.494 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.62 133.08 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 73.24 110.879 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.83 -74.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 44.33 112.479 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.589 HG12 HG22 ' A' ' 73' ' ' THR . 15.2 t -110.47 106.76 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.81 0.338 . . . . 71.42 111.159 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.25 51.25 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 41.4 110.872 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.589 HG22 HG12 ' A' ' 71' ' ' VAL . 8.9 t -163.18 26.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 75.3 111.127 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.16 149.21 5.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 62.44 112.449 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.9 155.59 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 41.13 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -90.6 113.74 25.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 54.41 110.919 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.693 HD21 ' HB1' ' A' ' 128' ' ' ALA . 2.6 mm? -99.75 133.33 44.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 63.24 110.919 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.476 ' O ' HD23 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -117.05 127.18 53.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.961 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -102.67 141.95 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 71.51 111.113 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.597 ' HA ' HG22 ' A' ' 117' ' ' THR . 49.9 m -142.63 155.86 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 60.43 110.876 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.07 47.78 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.889 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -111.41 156.89 20.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.955 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 86' ' ' VAL . 20.4 m-20 -57.55 177.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.02 110.92 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -88.27 -24.56 23.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 65.23 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.31 -21.05 70.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 43.15 112.487 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 82' ' ' LEU . 7.6 p -50.63 145.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 64.35 111.133 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 m -149.39 167.37 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.879 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.62 -59.22 4.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.853 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.99 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 64.44 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.91 -56.85 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.971 HD12 HG22 ' A' ' 120' ' ' VAL . 41.4 pt -65.19 -29.69 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 45.31 111.131 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.432 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -62.07 -61.01 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.942 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.55 -46.81 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.569 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.3 OUTLIER -51.38 -66.31 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 74.35 110.941 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.722 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.5 m-85 -58.74 -28.37 65.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.41 110.889 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.01 70.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 71.44 111.139 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -30.43 58.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 44.43 110.846 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -70.04 -49.4 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 62.45 110.906 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.05 -114.05 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 75.4 112.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.4 m -127.02 130.33 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 75.42 111.181 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 95' ' ' PHE . 40.4 mt -107.37 147.84 29.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.891 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -98.22 -25.61 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.54 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.11 156.31 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.938 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.432 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -156.19 127.01 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 55.23 111.118 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 157.27 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 71.34 111.084 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.3 p -125.8 144.11 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 72.21 111.159 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.12 140.82 29.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.846 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -130.49 150.46 51.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 63.33 110.921 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -93.59 176.15 6.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 72.21 110.907 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.09 -25.56 67.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 62.32 110.897 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -70.97 -22.35 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 30.32 110.854 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.88 39.77 4.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 55.2 112.48 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -146.73 162.48 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 75.4 110.86 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 m -53.2 119.7 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.876 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.52 -27.04 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 54.1 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.52 -13.41 5.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.14 112.449 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 80' ' ' SER . 65.0 p -140.58 141.71 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 64.22 111.144 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -119.84 168.21 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.24 111.106 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.37 125.29 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.971 HG22 HD12 ' A' ' 91' ' ' ILE . 3.2 t -131.44 129.88 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.098 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -95.65 115.28 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.826 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -88.19 143.27 27.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 75.15 110.848 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -79.77 -20.21 46.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 71.34 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 140.26 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.857 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.467 ' HG2' HD11 ' A' ' 149' ' ' LEU . 1.0 OUTLIER -73.69 -28.89 61.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.2 110.851 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.55 -64.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 61.44 111.172 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.62 -33.63 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 42.52 110.858 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.693 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -66.93 -42.04 86.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 61.02 111.076 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.9 OUTLIER -66.33 -49.31 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 63.35 110.986 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -37.97 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.864 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.69 -61.26 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 61.3 111.093 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -32.25 65.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.844 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -77.8 -29.41 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 64.31 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -89.75 -11.6 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 63.15 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -105.17 -42.46 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.934 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -50.31 112.4 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.935 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.17 -0.85 29.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 63.52 112.502 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' B' ' 116' ' ' ALA . 57.8 t -81.52 113.31 41.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 55.43 111.108 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.19 20.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 72.44 112.339 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 tp -127.51 97.75 4.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.946 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t0 51.85 36.55 18.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 64.44 110.871 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.89 19.3 40.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.22 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.14 97.83 6.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 64.14 110.902 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 115.77 4.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 73.04 112.37 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.451 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.3 mtp -63.14 143.47 57.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 71.13 110.869 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -134.28 107.89 7.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 52.53 110.869 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.615 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.2 mp -107.32 136.55 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.25 111.136 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.01 129.09 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 51.12 110.95 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 125' ' ' ARG . 10.4 tt -87.59 123.08 32.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.927 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 50.3 t -111.59 120.86 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 65.44 111.147 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.95 96.44 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 54.32 111.077 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.6 p -169.69 134.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 64.52 110.838 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -142.41 172.51 12.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.921 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 76.8 mt -118.83 -30.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 73.43 111.139 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 27.1 t70 56.07 53.25 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.2 110.915 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.9 pp -89.0 -25.52 21.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.4 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -95.85 33.43 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 64.24 110.886 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -85.01 79.57 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 64.03 110.854 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -148.19 167.12 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 44.33 110.83 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -119.46 85.73 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.882 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -141.12 177.95 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -112.85 117.69 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 54.44 110.871 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 70.44 110.88 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 121.448 0.471 . . . . 73.23 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 80.96 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.644 2.23 . . . . 75.35 112.389 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.83 156.14 16.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.953 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -161.14 108.1 0.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 74.51 112.491 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 53.9 p -108.33 178.08 4.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 44.52 110.835 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 6.8 m -74.74 137.03 41.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 43.41 110.86 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 22.6 m -114.76 167.39 10.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 71.45 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -116.23 -16.2 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.916 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.0 t -162.92 168.08 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.23 111.131 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 1.5 m -64.38 146.09 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 71.51 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.652 ' O ' HG23 ' B' ' 112' ' ' VAL . 65.8 t90 -53.52 -28.06 29.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.906 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -72.93 -32.68 65.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 71.23 111.088 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.63 -57.7 8.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 63.23 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -51.51 -34.19 35.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.919 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.652 HG23 ' O ' ' B' ' 108' ' ' TRP . 94.9 t -69.31 -60.28 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 71.43 111.175 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -59.66 -23.4 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 71.41 110.9 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.36 -45.68 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.918 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.68 -28.42 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 43.03 111.094 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -83.08 -46.67 12.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 70.12 111.096 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.94 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 74.15 111.089 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.98 -31.45 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.01 110.924 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -82.24 56.68 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 74.03 110.886 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.882 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.757 0.313 . . . . 54.53 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.6 93.81 8.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 74.42 111.124 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.8 p -87.58 91.59 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 70.13 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -172.26 179.74 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 74.34 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.6 p -114.24 156.08 24.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 72.51 111.158 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.8 -170.55 12.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 62.51 112.473 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.49 88.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.666 -0.778 . . . . 74.22 112.544 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -131.57 61.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.735 0.302 . . . . 52.31 110.922 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -129.33 45.04 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 71.23 110.913 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -95.88 108.55 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 75.4 110.863 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.43 171.86 34.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 52.24 112.47 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -129.78 141.93 50.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 64.12 110.866 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.52 158.63 1.42 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 74.21 110.828 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -18.76 36.79 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 75.25 112.342 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.12 -27.97 69.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 72.42 110.908 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -25.99 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.918 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -52.26 148.09 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.936 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -114.17 25.23 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 73.21 110.918 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -127.57 73.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 73.53 110.868 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.61 -25.83 24.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.821 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -87.55 11.09 15.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 63.53 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -53.1 165.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.875 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.26 147.46 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 54.14 110.826 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -124.96 51.38 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 64.44 110.844 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.06 -23.29 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 25.33 112.47 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.0 m -99.76 113.56 26.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.883 0.373 . . . . 55.01 110.919 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.4 42.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 75.24 112.478 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.85 -29.06 74.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.733 . . . . 71.03 112.464 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.52 101.65 2.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 63.02 112.478 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.5 119.12 5.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.921 0.391 . . . . 73.12 110.924 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 152.49 74.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 74.44 112.503 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.654 HG12 HG22 ' A' ' 73' ' ' THR . 11.1 t -111.94 105.71 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 70.35 111.118 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -87.8 50.7 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.873 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.654 HG22 HG12 ' A' ' 71' ' ' VAL . 8.8 t -160.35 24.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 71.54 111.18 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.35 144.29 4.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 72.31 112.514 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.41 168.67 25.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 74.3 111.191 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -105.92 113.82 27.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 52.33 110.906 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.809 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -94.13 139.66 30.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 52.22 110.943 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 tp -118.64 109.42 16.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.964 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.68 141.88 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 75.1 111.111 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.459 ' CB ' HG22 ' A' ' 117' ' ' THR . 50.6 m -146.23 160.71 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.845 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 t30 64.0 42.52 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.866 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.665 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -105.72 158.29 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 54.24 110.907 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.495 ' CG ' HD23 ' A' ' 140' ' ' LEU . 58.9 m-20 -54.95 177.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.882 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -93.82 0.42 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.863 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.3 -16.65 36.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 72.54 112.429 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.665 HG11 HD13 ' A' ' 82' ' ' LEU . 7.5 p -50.73 145.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 52.41 111.174 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 m -147.95 167.65 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.885 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.04 -60.73 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 74.11 110.883 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.49 -39.83 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 52.3 111.078 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.96 -61.37 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 71.32 110.849 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.096 HD12 HG22 ' A' ' 120' ' ' VAL . 46.3 pt -60.77 -28.26 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 72.14 111.122 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -62.03 -61.16 2.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.942 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.36 -47.19 86.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.77 -66.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 72.32 110.943 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.75 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.9 m-85 -58.85 -27.48 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.3 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 61.21 111.092 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -52.65 -30.71 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.938 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -69.56 -50.9 40.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 74.04 110.923 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.97 -120.21 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 75.01 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 m -127.0 107.77 10.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 74.32 111.158 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 95' ' ' PHE . 82.9 mt -77.97 165.42 24.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 72.42 110.928 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.76 -30.27 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.902 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.66 156.22 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 63.24 110.829 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -155.93 134.69 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 65.11 111.061 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.32 153.74 40.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 52.14 111.054 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -130.65 152.17 37.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.105 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.55 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -94.81 123.77 38.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.858 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -113.47 147.83 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.1 110.949 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -92.79 -175.5 3.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 75.11 110.871 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -63.38 -29.69 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.883 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -73.7 -22.39 59.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.882 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.55 24.47 11.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.773 -0.727 . . . . 72.23 112.45 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -124.23 157.11 35.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 74.52 110.876 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.6 t -53.29 125.9 19.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.53 110.846 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 107' ' ' ASP . 9.9 mt -63.8 -26.4 68.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 74.43 110.96 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.18 -15.43 4.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 44.52 112.505 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.459 HG22 ' CB ' ' A' ' 80' ' ' SER . 19.5 p -135.11 141.83 46.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 72.12 111.109 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -127.63 166.05 18.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 72.23 111.133 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.01 122.99 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.829 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 1.096 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -124.96 130.23 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 63.44 111.16 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -95.61 114.03 25.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.51 110.802 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.549 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.4 m-85 -86.76 133.47 33.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 70.44 110.847 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.43 -14.48 63.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.9 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.457 HH12 HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -139.44 142.38 37.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 64.41 110.898 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -30.79 58.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.43 -64.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 65.31 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.64 -26.81 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.04 110.83 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.809 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -64.95 -51.55 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.1 tm? -68.12 -40.47 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.91 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -65.55 -48.41 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 61.33 110.902 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.9 -60.31 3.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 74.42 111.082 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.89 53.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.877 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -77.45 -28.61 52.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.909 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.17 -11.1 44.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 64.14 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -106.39 -43.82 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.013 0.435 . . . . 73.32 110.96 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -50.46 112.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 63.14 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.84 1.75 30.39 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.706 -0.759 . . . . 70.12 112.468 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.676 HG21 ' HB2' ' B' ' 116' ' ' ALA . 59.5 t -84.9 112.78 45.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 71.14 111.112 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.91 18.4 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.72 2.28 . . . . 73.34 112.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.495 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.1 tp -125.02 97.7 5.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 74.02 110.959 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.0 t0 51.62 35.25 14.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 65.53 110.911 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.63 34.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 62.13 112.52 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.98 95.51 7.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 72.52 110.897 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 116.27 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 62.32 112.325 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.93 145.63 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.833 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -135.27 107.75 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 64.41 110.871 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.31 131.11 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 73.24 111.141 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.03 115.76 25.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 64.3 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.754 ' HA ' HD13 ' A' ' 77' ' ' LEU . 17.1 tp -76.7 128.16 34.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.45 110.989 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.95 125.18 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.45 111.19 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -97.72 88.52 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 74.52 111.096 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.2 t -159.84 119.95 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.3 110.851 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -141.66 154.19 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 63.44 110.911 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.473 ' O ' HD23 ' A' ' 156' ' ' LEU . 53.2 mt -95.02 -41.61 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 70.33 111.168 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -84.67 71.48 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 70.42 110.902 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 156' ' ' LEU . 0.8 OUTLIER -88.69 -25.71 22.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 63.43 110.953 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -52.42 -35.19 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.849 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -63.36 134.23 55.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -157.37 146.46 19.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 64.32 110.809 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -93.95 150.84 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -74.95 151.05 38.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 74.3 110.821 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -86.37 -45.82 10.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.824 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 48.6 t60 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 72.51 110.829 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 121.417 0.454 . . . . 70.42 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -173.56 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.651 2.234 . . . . 74.2 112.359 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mp -99.77 -59.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 72.31 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.33 -160.99 33.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 34.25 112.506 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -96.69 37.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 73.04 110.903 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -161.91 151.72 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 64.53 110.847 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 94.4 m -127.37 26.16 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 45.35 110.962 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -116.1 -16.09 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.886 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.7 t -167.55 176.53 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 74.44 111.166 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 9.7 m -79.42 147.99 32.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 74.1 110.876 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.647 ' O ' HG23 ' B' ' 112' ' ' VAL . 67.4 t90 -55.64 -25.95 41.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 63.3 110.936 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -78.14 -30.67 49.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.4 111.087 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.98 -52.47 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 65.33 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -56.67 -40.24 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 65.15 110.891 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 108' ' ' TRP . 91.9 t -64.18 -60.28 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 63.05 111.099 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' B' ' 117' ' ' ALA . 13.1 ptp180 -55.02 -30.29 59.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.874 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -75.47 -37.54 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.876 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.05 -37.76 78.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 44.43 111.1 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -81.66 -34.17 30.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.45 111.181 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' B' ' 113' ' ' ARG . . . -51.49 -52.7 44.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.3 111.076 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -64.58 -27.94 69.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.9 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -80.3 62.18 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 71.3 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.908 -179.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.793 0.33 . . . . 74.52 110.803 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -171.4 157.05 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 73.2 111.076 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.1 m -77.52 -36.31 52.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 64.23 110.839 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 61.5 mtm -95.21 106.91 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 73.13 110.872 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -61.88 115.82 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.087 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.58 -52.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 70.22 112.495 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.49 125.64 8.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.747 -0.739 . . . . 52.13 112.473 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -129.01 68.95 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 44.24 110.853 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -136.44 123.42 21.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.92 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.0 ptm -130.81 -179.3 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.52 110.908 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.12 -99.54 2.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 55.22 112.459 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -88.02 130.3 35.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.772 0.32 . . . . 72.32 110.879 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 160.5 62.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.518 0.675 . . . . 73.24 110.899 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 -20.27 35.52 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.701 2.267 . . . . 70.05 112.314 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -99.07 18.88 16.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 54.45 110.856 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -105.04 26.76 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.921 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -76.97 170.37 16.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.93 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -109.11 36.67 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 44.22 110.967 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -65.01 -24.87 67.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.84 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -71.02 -21.36 62.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.891 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mt -87.3 10.63 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 64.3 110.901 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -51.87 167.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.922 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -84.88 129.45 34.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.822 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.8 p -100.93 49.65 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 60.13 110.902 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 138.01 111.41 1.02 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.754 . . . . 50.01 112.476 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.5 p -161.58 130.24 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 55.22 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.31 -94.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 64.4 112.462 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.37 101.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 25.44 112.519 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.43 -69.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.735 -0.745 . . . . 43.41 112.451 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -63.92 144.07 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.941 0.4 . . . . 73.32 110.882 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.69 68.99 0.15 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 72.52 112.436 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.594 HG12 HG22 ' A' ' 73' ' ' THR . 12.4 t -111.21 106.32 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.763 0.316 . . . . 64.54 111.181 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.77 47.86 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 71.23 110.793 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.594 HG22 HG12 ' A' ' 71' ' ' VAL . 8.8 t -156.68 22.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.117 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.3 156.69 8.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 74.55 112.527 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.13 178.44 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 72.42 111.058 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -112.76 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 53.1 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.939 HD11 ' HB1' ' A' ' 128' ' ' ALA . 2.9 mp -118.53 136.61 53.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.869 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 118' ' ' ALA . 52.7 tp -113.39 114.07 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.87 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.6 t -90.89 148.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 64.21 111.145 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.451 ' CB ' HG22 ' A' ' 117' ' ' THR . 58.8 m -148.34 161.56 41.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 64.33 110.865 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 t30 65.39 42.51 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 71.52 110.881 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.674 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -107.13 157.89 17.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.866 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.34 177.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.867 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -91.99 -14.65 29.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.864 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.59 -16.89 76.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 74.33 112.513 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.674 HG11 HD13 ' A' ' 82' ' ' LEU . 11.3 p -50.26 146.43 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.786 0.327 . . . . 74.13 111.173 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.1 m -149.59 165.59 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.24 110.907 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -60.17 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.842 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.93 -38.66 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.3 111.061 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -60.26 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.87 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.805 HD12 HG22 ' A' ' 120' ' ' VAL . 44.4 pt -61.44 -29.1 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 41.43 111.17 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -61.06 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.918 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.1 -46.85 88.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.923 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.429 HD13 HG11 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -51.44 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.945 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.722 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.2 m-85 -59.22 -27.25 65.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 75.45 110.905 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.26 -30.17 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 51.53 111.037 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -55.54 -30.07 60.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.823 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -69.3 -50.69 44.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.836 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.53 -115.92 0.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 72.0 112.462 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 m -129.54 117.08 19.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 71.4 111.186 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.722 HD11 ' CB ' ' A' ' 95' ' ' PHE . 47.0 mt -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.22 110.894 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.88 -32.16 5.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.897 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 150.92 28.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.98 131.21 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 64.01 111.119 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 119' ' ' ASP . . . -146.24 157.56 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.44 111.098 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.0 p -129.01 151.0 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 70.01 111.099 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.71 128.56 44.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.937 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -114.34 151.49 32.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 73.15 110.984 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -99.83 176.25 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 43.24 110.852 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.26 -25.04 63.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 75.15 110.942 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -71.28 -22.38 61.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.861 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.75 23.65 13.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 64.4 112.513 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -134.61 164.7 26.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 74.13 110.911 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.76 124.48 12.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.956 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.94 -27.54 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 52.41 110.904 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 136.26 -16.4 3.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 63.1 112.46 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.451 HG22 ' CB ' ' A' ' 80' ' ' SER . 29.9 p -140.2 141.61 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 63.22 111.098 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -124.39 169.36 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.098 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.5 ' OD2' ' HB3' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -127.87 128.45 45.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 63.45 110.937 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.805 HG22 HD12 ' A' ' 91' ' ' ILE . 2.1 t -132.68 126.51 54.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 64.13 111.127 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -98.29 113.87 25.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.773 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 77' ' ' LEU . 4.3 m-85 -85.06 148.66 26.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.883 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.11 -15.69 55.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 50.1 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.405 ' HG3' ' HB2' ' A' ' 127' ' ' ASP . 0.0 OUTLIER -138.29 140.4 39.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.35 110.861 -179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.624 ' HD2' HD11 ' A' ' 149' ' ' LEU . 11.4 tpt180 -69.91 -42.67 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.879 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.07 -63.94 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 73.24 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.405 ' HB2' ' HG3' ' A' ' 124' ' ' ARG . 15.3 t70 -52.88 -37.3 60.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 75.35 110.869 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.939 ' HB1' HD11 ' A' ' 77' ' ' LEU . . . -61.46 -44.23 97.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.133 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -68.55 -44.71 73.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.885 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -63.58 -43.53 96.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 54.14 110.858 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.17 -62.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 63.01 111.091 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -32.89 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.03 110.886 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -78.9 -27.66 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 72.41 110.85 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.7 -10.54 45.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.493 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.0 m-30 -108.37 -43.96 4.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 75.0 110.892 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -49.09 112.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.874 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.41 5.21 32.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 41.12 112.505 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 135' ' ' TYR . 50.3 t -87.56 112.01 45.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.655 0.741 . . . . 65.22 111.083 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.63 129.35 17.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 70.32 112.386 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.6 tp -123.99 98.07 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 71.15 110.894 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.1 t70 51.7 33.41 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.85 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.76 20.03 27.63 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.788 -0.72 . . . . 23.12 112.509 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.15 97.01 7.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.612 0.72 . . . . 74.01 110.786 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 116.43 4.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.628 2.219 . . . . 74.33 112.331 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.9 mtp -65.68 141.26 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.846 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -130.56 107.69 9.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.89 126.93 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 62.41 111.102 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 114.51 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 74.24 110.944 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.624 HD11 ' HD2' ' A' ' 125' ' ' ARG . 10.4 tt -77.17 134.71 38.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 64.14 110.893 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 75.8 t -128.15 124.99 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 71.53 111.147 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.65 95.32 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 70.22 111.054 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.2 t -175.23 154.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 54.02 110.816 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -149.11 164.66 34.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 70.14 110.89 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.36 -46.02 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 54.41 111.15 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.15 83.93 2.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.855 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 156' ' ' LEU . 0.8 OUTLIER -87.46 -25.15 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.95 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -76.19 -36.56 58.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 61.02 110.872 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -54.01 -30.01 45.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.857 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -99.74 102.85 14.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.795 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -132.16 163.25 28.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.22 110.819 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -103.41 117.33 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.837 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -122.37 123.56 41.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.8 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 15.0 p80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.851 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 121.491 0.495 . . . . 70.13 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 149.02 66.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 70.13 112.278 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 17.5 mt -130.68 55.38 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.928 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 62.42 -175.56 7.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 45.02 112.483 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 14.1 t -71.12 144.29 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 74.03 110.846 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 28.6 m -94.62 98.15 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 65.52 110.819 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 7.4 p -119.98 -37.78 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.11 110.862 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.51 -170.58 2.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.0 t -58.75 174.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 51.35 111.144 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -66.81 151.06 48.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 74.3 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.534 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 64.8 t90 -60.32 -25.48 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 64.44 110.894 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.29 -22.58 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 61.43 111.104 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.46 -57.74 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.785 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.23 -49.47 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.816 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.429 HG11 HD13 ' A' ' 94' ' ' LEU . 7.0 p -67.54 -36.45 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 64.31 111.099 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -59.04 -41.17 87.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 55.45 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -75.93 -42.23 49.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.49 76.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.32 111.096 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.97 -46.71 17.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 64.15 111.019 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.48 -31.96 64.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 74.42 111.106 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -69.47 -26.38 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.92 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -96.46 29.74 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.826 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.902 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.729 0.299 . . . . 75.21 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.3 153.33 29.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 43.43 111.09 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 m -145.3 172.75 12.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 61.22 110.863 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.7 ptm -174.28 150.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.876 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 p -151.56 176.79 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 64.5 111.117 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.06 -166.06 39.19 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.654 -0.784 . . . . 74.53 112.452 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.18 65.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 60.13 112.505 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -170.07 124.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.717 0.294 . . . . 31.34 110.891 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -87.15 97.34 10.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.907 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.2 mtt -152.17 137.34 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 72.1 110.856 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.64 163.42 11.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.773 -0.727 . . . . 61.13 112.49 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -99.83 136.85 39.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 73.32 110.82 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.09 160.61 42.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.534 0.683 . . . . 64.34 110.888 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -13.58 35.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 65.22 112.389 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -52.03 -30.45 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 73.21 110.849 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -30.28 26.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.847 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -57.71 161.46 3.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.281 -0.418 . . . . 74.53 110.91 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -137.66 142.2 41.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 61.31 110.891 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.02 39.12 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 62.52 110.856 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -65.98 -18.42 65.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.56 11.91 13.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -52.95 160.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.92 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -94.38 148.85 21.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.845 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.3 t -129.71 82.91 2.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 70.51 110.812 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.94 108.07 0.52 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.782 -0.723 . . . . 61.34 112.521 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.9 t -129.51 151.78 49.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 74.43 110.85 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.0 124.63 2.5 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.747 -0.74 . . . . 65.23 112.514 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.08 140.79 4.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 72.15 112.504 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.29 -76.0 1.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 70.33 112.488 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -91.6 147.05 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 73.35 110.89 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.626 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -140.9 -85.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 75.14 112.48 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.722 ' CG1' HG22 ' A' ' 73' ' ' THR . 17.4 t -143.79 148.67 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 63.12 111.06 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.89 41.71 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.889 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.722 HG22 ' CG1' ' A' ' 71' ' ' VAL . 13.0 t -153.96 30.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.42 111.142 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.98 146.75 4.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 62.44 112.473 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.83 167.69 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 35.24 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -106.99 113.21 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.941 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.848 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm? -93.84 139.43 30.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.856 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 tp -120.36 112.68 19.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.844 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.31 142.86 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 75.1 111.138 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.595 ' HA ' HG22 ' A' ' 117' ' ' THR . 91.7 p -145.86 155.7 43.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 52.22 110.813 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 t30 64.63 46.46 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.906 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -107.82 157.69 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.889 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.39 177.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 54.25 110.844 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -92.01 -12.66 32.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.869 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.46 -16.96 72.33 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.745 -0.74 . . . . 64.12 112.421 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 82' ' ' LEU . 9.2 p -50.9 145.79 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.323 . . . . 54.43 111.17 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 166.03 30.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 72.54 110.862 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.38 -60.37 2.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.847 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.3 -38.09 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.21 111.123 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.8 -60.31 3.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 51.33 110.936 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.98 HD12 HG22 ' A' ' 120' ' ' VAL . 42.1 pt -61.67 -29.48 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -61.03 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 74.03 110.924 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.69 -47.07 86.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.51 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.584 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.16 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.9 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.1 m-85 -58.83 -28.44 66.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.917 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.72 -30.68 71.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 54.01 111.138 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -30.71 43.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.887 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -69.29 -50.92 42.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 60.12 110.898 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.03 -111.3 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 74.23 112.49 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -127.8 133.66 49.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.346 . . . . 75.23 111.134 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 41.0 mt -111.49 146.26 37.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.875 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -101.48 -27.18 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.908 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 146.92 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.32 110.821 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.74 112.4 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 73.52 111.092 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.7 157.21 47.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 74.15 111.142 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.9 p -124.36 145.49 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 72.13 111.172 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.8 132.89 34.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.879 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -126.73 140.61 52.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 64.01 110.947 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -74.06 175.78 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 71.53 110.809 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -23.88 67.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.811 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.66 -22.23 59.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 55.21 110.914 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.46 44.29 2.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 54.52 112.472 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -146.01 152.7 39.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 73.5 110.866 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.9 t -51.98 111.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.3 110.894 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.94 -29.3 27.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 72.01 110.891 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.72 -15.4 4.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 41.24 112.51 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 80' ' ' SER . 82.4 p -134.03 141.8 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 74.15 111.211 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.43 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -119.21 164.87 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 74.34 111.095 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.21 118.52 22.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.98 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -127.33 125.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.43 111.13 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -95.56 114.98 26.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 73.44 110.863 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.601 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.9 m-85 -85.16 144.92 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 70.31 110.894 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -78.19 -16.65 57.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 75.02 110.883 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.86 143.99 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 74.03 110.838 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -34.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.804 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -63.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.52 111.045 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.778 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.848 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.96 -50.59 54.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.099 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.3 tm? -67.04 -42.15 85.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 70.54 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -64.99 -44.85 87.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.934 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.69 -61.72 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 70.2 111.057 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -34.18 53.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 71.44 110.891 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -78.06 -27.55 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.15 -11.33 44.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 70.22 110.904 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.481 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.16 -43.28 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.879 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -50.52 112.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 64.53 110.953 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.26 3.46 33.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 64.33 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 135' ' ' TYR . 56.1 t -86.57 112.77 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 70.51 111.14 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 129.95 18.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.724 2.283 . . . . 72.22 112.335 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.657 ' CD1' HG22 ' B' ' 112' ' ' VAL . 8.1 tp -124.48 97.89 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 65.53 110.91 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 t70 50.91 34.82 11.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 70.45 110.856 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.51 19.75 31.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 75.43 112.509 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.1 95.19 7.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 71.44 110.882 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 72.45 112.325 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.5 mtp -65.03 146.08 55.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.871 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -135.66 107.74 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 63.23 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.06 132.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 54.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.7 115.89 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.951 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.774 ' HA ' HD13 ' A' ' 77' ' ' LEU . 8.4 tt -76.23 129.51 36.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 71.03 110.942 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.88 124.53 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.51 111.164 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.626 ' HB1' ' HA3' ' A' ' 70' ' ' GLY . . . -104.37 87.06 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 62.4 111.088 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 24.3 t -156.84 109.61 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.823 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -155.04 167.83 29.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 74.3 110.864 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.6 mm -92.5 -31.62 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 71.21 111.164 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 49.4 t0 61.05 63.71 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.893 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 78.5 mt -89.15 -22.98 22.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 72.12 110.911 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.75 -30.29 22.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 62.23 110.838 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.77 160.84 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 61.12 110.811 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 39.8 t60 61.43 33.75 18.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.846 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -113.59 61.97 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.874 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -83.82 97.3 9.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.864 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.73 67.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.816 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 6.9 p80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.816 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 121.492 0.496 . . . . 70.04 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 117.91 5.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 74.54 112.347 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.77 75.14 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.904 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 52.79 27.22 27.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 65.14 112.494 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -65.78 154.45 39.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 72.05 110.873 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 76.9 p -96.26 26.6 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.41 110.9 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 51.9 m -82.87 -176.83 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 72.23 110.885 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -69.13 -75.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.925 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -146.06 175.07 10.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 53.34 111.104 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 5.4 t -60.88 -170.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 70.55 110.892 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.509 ' O ' HG23 ' B' ' 112' ' ' VAL . 66.3 t90 -93.36 -24.27 18.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -79.61 -25.1 41.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.53 111.116 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -58.35 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -51.83 -37.14 50.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.845 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.657 HG22 ' CD1' ' A' ' 140' ' ' LEU . 60.3 t -72.15 -41.75 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 73.13 111.123 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.584 ' HG3' HD12 ' A' ' 94' ' ' LEU . 53.9 mtp180 -63.9 -37.48 87.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.861 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.74 -35.85 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.12 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.45 88.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.32 111.117 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -81.92 -43.71 17.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 74.43 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.65 -49.99 61.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 62.22 111.027 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -57.07 -26.07 59.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 73.45 110.888 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -88.96 64.18 7.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 73.4 110.894 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.77 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 31.8 ttp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.788 0.328 . . . . 72.02 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.26 122.77 15.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 50.24 111.077 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -141.78 137.82 31.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 44.35 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -117.34 144.46 44.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.13 110.854 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 t -170.72 143.7 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 73.42 111.142 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.39 -174.15 33.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.798 -0.715 . . . . 54.3 112.491 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.92 140.08 2.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.759 . . . . 62.15 112.418 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -174.06 120.91 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 53.51 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -110.97 144.2 40.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 64.2 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -66.51 -177.98 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.886 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.15 141.94 10.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 50.42 112.463 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -85.83 131.96 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 74.41 110.933 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.56 158.41 1.51 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.597 0.713 . . . . 61.42 110.914 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -13.51 34.72 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.656 2.237 . . . . 74.52 112.394 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -52.45 -29.66 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 53.54 110.905 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -51.83 -42.66 62.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 71.54 110.901 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -54.16 169.11 0.19 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.29 107.81 19.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 70.41 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -122.96 -3.66 8.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.35 110.878 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -89.85 -5.81 56.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 63.31 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.68 33.86 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 64.43 110.902 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -51.28 160.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.834 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.65 129.88 56.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 64.22 110.83 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.8 t -139.49 76.57 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.821 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.07 88.37 0.83 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 53.1 112.493 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.7 t -174.34 153.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 72.41 110.876 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.19 121.96 1.94 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.681 -0.771 . . . . 73.45 112.451 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.5 140.23 15.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.848 -0.692 . . . . 71.05 112.518 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.53 70.65 0.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 61.55 112.463 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.652 ' HG2' ' HB3' ' A' ' 151' ' ' ALA . 42.4 mt-10 -100.95 155.6 17.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 72.41 110.847 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.33 46.39 0.18 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.671 -0.776 . . . . 62.41 112.472 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.657 HG12 HG22 ' A' ' 73' ' ' THR . 5.5 t -111.14 103.34 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 74.43 111.164 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -90.42 47.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 62.55 110.857 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.657 HG22 HG12 ' A' ' 71' ' ' VAL . 8.9 t -151.19 20.04 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.3 111.114 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.14 156.07 6.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.685 -0.769 . . . . 71.13 112.465 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.41 172.1 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 72.52 111.166 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -110.1 113.36 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 63.32 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.853 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.9 mm? -92.94 140.61 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 43.34 110.949 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.0 tp -121.04 110.11 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 62.22 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.59 143.6 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 72.02 111.117 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.406 ' CB ' HG22 ' A' ' 117' ' ' THR . 49.0 m -147.41 158.91 44.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.846 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t30 65.03 42.66 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 55.52 110.834 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -106.75 156.2 18.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.893 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.4 177.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.32 110.877 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -90.17 -18.46 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.866 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.36 -19.71 79.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 60.32 112.551 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.606 HG11 HD13 ' A' ' 82' ' ' LEU . 9.7 p -50.35 146.46 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 33.14 111.176 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -149.36 165.08 33.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 62.04 110.874 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -59.73 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 53.41 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.37 -40.18 77.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.12 111.07 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.72 -61.03 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.43 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.899 HD12 HG22 ' A' ' 120' ' ' VAL . 44.6 pt -61.12 -28.7 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.0 111.056 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -61.6 -61.27 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 64.12 110.862 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.19 -47.32 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.76 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.04 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.984 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.72 ' CB ' HD11 ' A' ' 101' ' ' LEU . 10.9 m-85 -59.92 -27.88 67.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.875 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -64.26 -30.5 71.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 61.23 111.11 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.12 -31.32 51.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.885 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -67.98 -49.04 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.897 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.01 -120.28 0.53 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 73.52 112.472 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -124.09 112.99 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 71.41 111.085 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.72 HD11 ' CB ' ' A' ' 95' ' ' PHE . 46.8 mt -86.14 154.39 21.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.871 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -33.72 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.891 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -157.18 150.75 24.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 73.01 110.881 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.563 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -156.04 127.09 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.2 111.037 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.03 151.06 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -120.18 152.41 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 63.31 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.491 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -94.21 127.1 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.871 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -116.27 146.68 42.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 74.41 110.897 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -90.92 -175.47 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 71.5 110.846 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -65.38 -29.02 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 75.24 110.841 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.6 m -71.5 -22.27 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.879 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.47 22.16 13.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.65 -0.786 . . . . 63.02 112.501 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -124.98 161.59 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 74.42 110.866 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.21 132.48 43.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 63.2 110.842 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 107' ' ' ASP . 6.3 mt -69.77 -24.63 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.922 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.81 -14.88 5.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.819 -0.705 . . . . 70.14 112.511 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.406 HG22 ' CB ' ' A' ' 80' ' ' SER . 82.4 p -138.22 141.66 39.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.78 0.324 . . . . 71.31 111.134 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.97 162.22 23.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.061 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -126.57 126.07 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 54.24 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.899 HG22 HD12 ' A' ' 91' ' ' ILE . 2.7 t -134.89 125.87 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 63.43 111.118 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -95.28 119.4 33.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 70.22 110.885 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.609 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.6 m-85 -88.97 134.31 34.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.45 110.886 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.82 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.884 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 143.56 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.933 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -76.91 -33.03 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 70.23 110.897 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.09 -64.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.16 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -26.24 67.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.857 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.853 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -64.88 -50.8 65.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.25 111.059 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.1 tm? -69.01 -38.44 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 61.44 110.89 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -67.53 -47.65 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.943 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.56 -57.26 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 74.21 111.081 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -33.62 67.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.911 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -76.4 -28.68 56.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 73.51 110.9 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -89.22 -14.35 36.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.4 m-30 -101.9 -43.99 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.836 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -50.48 112.04 0.63 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 71.04 110.872 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.64 2.71 28.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.663 -0.779 . . . . 73.53 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.9 t -84.36 112.67 43.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 75.44 111.1 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 132.0 22.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 74.3 112.337 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.653 ' CD1' HG22 ' B' ' 112' ' ' VAL . 9.0 tp -129.51 97.85 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.03 110.986 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 51.57 37.07 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 64.23 110.854 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.47 20.66 40.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 54.3 112.496 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.06 94.39 7.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 75.24 110.915 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 116.19 4.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.707 2.271 . . . . 73.11 112.371 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mtp -62.11 144.77 54.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 52.45 110.946 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -134.69 107.74 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 70.24 110.833 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.2 mp -106.11 137.37 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 63.32 111.142 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.94 115.75 21.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.891 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.756 ' HA ' HD13 ' A' ' 77' ' ' LEU . 10.3 tt -76.87 126.87 31.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 62.32 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 91.4 t -114.81 126.07 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 55.13 111.098 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.652 ' HB3' ' HG2' ' A' ' 69' ' ' GLU . . . -88.35 87.06 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.32 111.095 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.2 t -158.0 145.0 17.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 65.3 110.86 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -130.37 174.98 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 64.21 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 40.2 mm -122.02 -34.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 41.03 111.089 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.45 73.45 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 50.44 110.853 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.1 -33.03 21.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 70.04 110.949 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -60.23 -71.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.904 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -96.04 163.59 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.833 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -173.79 137.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.864 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -61.26 -179.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -166.62 130.69 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.881 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -96.81 172.69 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.852 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.833 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 CA-C-O 121.379 0.433 . . . . 75.53 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.502 ' C ' HD22 ' B' ' 100' ' ' LEU . 53.9 Cg_endo -69.72 86.21 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.722 2.281 . . . . 52.12 112.322 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.502 HD22 ' C ' ' B' ' 99' ' ' PRO . 4.5 mm? -123.31 177.62 5.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 71.31 110.879 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 147.72 -43.66 0.82 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.712 -0.756 . . . . 72.43 112.5 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 9.0 t -61.85 -27.31 68.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 73.04 110.822 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.3 m -66.07 150.61 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 62.23 110.828 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 63.7 m -112.32 -36.72 5.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 51.42 110.891 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.59 -172.0 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 72.52 110.874 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.0 t -55.88 168.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.12 111.152 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 72.0 m -64.08 146.83 53.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 64.45 110.892 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.595 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 68.9 t90 -56.21 -24.89 44.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 74.44 110.898 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.24 -31.07 49.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.42 111.079 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.23 -56.47 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -51.55 -47.72 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.842 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.653 HG22 ' CD1' ' A' ' 140' ' ' LEU . 58.9 t -63.83 -50.67 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 70.43 111.112 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.76 ' HG3' HD12 ' A' ' 94' ' ' LEU . 50.5 mtm180 -52.01 -37.37 53.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.915 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.63 -47.93 43.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 64.23 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.77 -45.88 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.53 111.084 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.6 -39.09 58.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.42 111.07 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.75 55.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 74.15 111.039 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -84.13 -30.37 25.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 70.14 110.939 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -85.73 58.56 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 63.02 110.807 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.859 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 73.13 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.18 172.34 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.42 111.098 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 p -168.48 177.94 5.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 41.11 110.832 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.3 ptt? -172.48 179.78 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.851 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.6 t -160.75 173.7 15.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 65.04 111.197 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.7 -167.42 16.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 73.42 112.468 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.04 145.47 6.72 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 22.05 112.476 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -151.92 115.84 4.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 73.43 110.881 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -100.17 171.23 7.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 43.23 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.0 ptp -145.33 -176.83 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.89 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.49 -164.72 10.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 70.01 112.459 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -115.82 179.23 4.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 74.52 110.861 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.56 160.55 47.47 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.548 0.69 . . . . 61.32 110.884 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.75 37.48 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.715 2.277 . . . . 60.45 112.342 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.94 -22.71 60.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.882 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -62.48 -31.06 71.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 64.14 110.889 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -51.79 168.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 55.41 110.96 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -130.29 -179.38 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.942 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -107.41 -24.59 11.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 72.3 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.0 -5.1 47.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.18 33.67 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 72.2 110.929 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -50.97 168.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 64.21 110.904 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -100.19 80.27 2.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 64.33 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -103.25 -26.8 12.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 53.44 110.865 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.67 -24.69 55.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 71.04 112.519 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.7 m 61.63 31.96 18.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 70.11 110.852 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.92 -171.08 3.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.687 -0.768 . . . . 71.14 112.533 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.41 -130.66 7.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 70.34 112.485 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.41 121.95 1.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 61.15 112.502 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -145.45 110.44 5.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 73.25 110.785 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.37 43.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 65.43 112.473 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.923 HG12 HG22 ' A' ' 73' ' ' THR . 2.1 t -116.54 121.65 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 72.54 111.13 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -95.34 36.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 63.34 110.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.923 HG22 HG12 ' A' ' 71' ' ' VAL . 12.3 t -138.54 28.19 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 74.42 111.122 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 149.18 152.57 5.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.794 -0.717 . . . . 61.32 112.51 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.8 153.45 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 62.41 111.09 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.744 ' C ' HD22 ' A' ' 77' ' ' LEU . 40.1 ttpt -83.74 152.77 24.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 71.51 110.923 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.744 HD22 ' C ' ' A' ' 76' ' ' LYS . 4.0 mm? -134.24 106.76 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 71.15 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp -89.47 109.54 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 51.54 110.953 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.433 ' CG1' HD23 ' A' ' 82' ' ' LEU . 83.3 t -90.96 142.28 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.35 111.196 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 117' ' ' THR . 49.0 m -146.15 160.81 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.878 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.6 t30 65.37 43.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 62.21 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.6 160.75 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.21 110.889 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.485 ' CG ' HD23 ' A' ' 140' ' ' LEU . 73.8 m-20 -54.89 177.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.14 110.833 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -94.0 3.66 55.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.946 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.47 -16.94 25.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 21.51 112.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 82' ' ' LEU . 9.8 p -50.71 148.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.792 0.33 . . . . 62.5 111.158 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 m -149.29 166.69 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 25.12 110.893 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -59.14 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.939 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.73 80.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 75.34 111.094 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 74.04 110.891 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.6 pt -60.63 -34.64 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.155 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.461 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -54.28 -61.56 2.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 71.32 110.883 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.91 -47.45 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.841 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.575 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.31 -65.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.891 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.702 ' CD2' HG11 ' A' ' 120' ' ' VAL . 22.0 m-85 -59.09 -29.38 67.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.917 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -62.92 -31.43 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.21 111.061 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -30.94 44.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.893 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -66.16 -52.23 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.88 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.69 -97.95 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.843 -0.694 . . . . 73.52 112.501 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -139.9 137.88 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 64.34 111.114 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 95' ' ' PHE . 43.0 mt -116.1 144.25 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 73.43 110.97 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -91.55 -29.96 16.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 63.33 110.947 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.31 158.09 13.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.878 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -154.9 131.2 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 73.4 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.31 157.53 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 75.44 111.017 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.36 152.52 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 74.21 111.066 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.07 119.31 38.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.823 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -106.97 161.64 14.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 70.44 110.979 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -103.19 -169.77 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.85 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -67.62 -31.52 71.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.908 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.2 t -70.96 -22.38 62.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 71.45 110.855 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.94 35.69 5.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 73.1 112.51 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -137.59 161.7 35.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 64.51 110.894 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.7 t -51.99 120.4 5.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 40.13 110.937 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.65 -25.18 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 70.51 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 130.26 -8.51 5.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.72 . . . . 30.13 112.493 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 80' ' ' SER . 45.5 p -140.63 141.99 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 73.34 111.221 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.62 170.22 9.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 62.53 111.067 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.47 114.88 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 54.41 110.904 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.702 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -129.41 131.51 67.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 73.52 111.099 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -95.84 121.85 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 52.13 110.815 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.542 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.1 m-85 -85.52 137.51 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 63.31 110.89 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -67.77 -16.39 64.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.981 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.8 148.35 42.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 73.21 110.788 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -32.8 61.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.1 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.57 -63.38 1.29 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 55.14 111.122 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -53.55 -27.82 28.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.918 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.719 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.23 -59.49 2.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 53.15 111.088 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.2 tm? -56.23 -42.97 78.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 62.53 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -64.55 -47.19 79.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 62.12 110.921 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.35 -61.11 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 65.52 111.119 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -34.28 52.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 53.02 110.901 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' NZ ' HD11 ' A' ' 129' ' ' LEU . 18.9 ttmt -77.78 -27.67 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.873 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.37 -10.88 44.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.956 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.3 m-30 -107.95 -40.87 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 74.22 110.905 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.14 112.01 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 64.02 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.42 5.51 34.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 43.41 112.498 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 135' ' ' TYR . 52.4 t -85.5 112.66 45.97 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 50.12 111.121 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 130.42 19.22 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.637 2.225 . . . . 61.11 112.381 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.485 HD23 ' CG ' ' A' ' 83' ' ' ASP . 9.9 tp -127.6 97.72 4.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.975 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.5 t0 51.36 36.61 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.51 110.894 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.8 20.55 36.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 54.1 112.476 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 96.12 7.36 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 73.23 110.911 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 116.12 4.41 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 71.45 112.354 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.79 146.03 53.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.804 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -136.54 107.55 6.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 55.32 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.404 HG13 HG22 ' A' ' 79' ' ' VAL . 5.2 mp -106.14 135.72 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 64.24 111.117 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.89 115.47 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 71.34 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.73 ' HA ' HD13 ' A' ' 77' ' ' LEU . 10.1 tt -73.73 122.36 22.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 72.04 110.952 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 56.1 t -113.19 128.52 69.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 71.13 111.092 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.05 101.88 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 53.32 111.12 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.5 p -127.25 160.53 31.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 64.35 110.893 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.81 -177.01 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.879 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 29.8 mm -120.43 -32.5 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 63.3 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -162.88 157.82 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 71.01 110.901 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.513 ' H ' HD23 ' A' ' 156' ' ' LEU . 0.7 OUTLIER -84.34 -19.57 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 65.42 110.955 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -95.79 32.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.906 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -82.18 56.81 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 42.54 110.857 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -143.36 146.73 33.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 63.55 110.862 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -158.18 138.88 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 64.52 110.812 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -104.05 162.98 12.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 74.01 110.905 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -156.1 176.34 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.873 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.868 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 121.41 0.45 . . . . 53.35 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 149.64 67.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 74.52 112.351 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 82.1 mt -110.22 -33.76 6.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.949 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -175.1 73.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 70.24 112.452 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 42.7 m -136.81 142.81 42.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 75.21 110.782 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.2 t -113.9 63.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 75.3 110.895 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.6 142.89 50.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 54.31 110.96 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -172.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 74.02 110.936 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -59.35 175.22 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 74.5 111.154 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 19.7 m -60.82 -170.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 53.11 110.843 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.639 ' O ' HG23 ' B' ' 112' ' ' VAL . 57.8 t90 -96.25 -21.25 17.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.32 110.962 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -79.34 -30.85 42.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 74.52 111.124 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.4 -52.62 44.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -55.58 -37.34 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.874 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 108' ' ' TRP . 89.5 t -67.81 -60.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 64.05 111.107 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -56.32 -30.25 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.816 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -73.59 -43.82 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 72.51 110.927 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.01 77.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 61.22 111.095 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.97 -44.76 30.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 64.21 111.135 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.62 -47.58 63.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 45.33 111.094 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -66.98 -25.41 66.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.954 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -94.14 55.04 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 73.42 110.844 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 73.25 110.84 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.2 mtm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 52.33 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.97 48.24 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 75.42 111.079 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -139.46 174.07 10.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 74.12 110.839 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.3 mtt -137.19 179.07 6.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.3 110.885 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -51.9 146.23 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 72.11 111.199 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.17 39.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.516 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.71 140.81 3.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 53.42 112.509 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -123.25 83.91 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.735 0.302 . . . . 61.14 110.976 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -123.37 96.32 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 75.45 110.932 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.0 ttt -139.86 145.78 38.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 64.24 110.839 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.26 -162.23 12.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.647 -0.787 . . . . 75.23 112.432 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -107.16 129.72 54.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 71.53 110.906 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.14 160.66 42.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 64.41 110.867 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -11.29 30.52 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.248 . . . . 71.43 112.355 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -96.56 18.69 13.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 70.12 110.873 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -97.38 39.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.955 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -100.15 -179.56 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 62.42 110.893 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.53 123.62 47.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.86 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -130.59 4.97 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.32 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.57 ' CG ' HD13 ' A' ' 78' ' ' LEU . 13.9 m-20 -75.01 -14.88 60.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 51.12 110.895 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.65 15.3 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.949 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -92.78 172.96 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 64.12 110.883 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -70.46 160.82 31.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 74.03 110.873 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -102.01 26.92 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 61.23 110.889 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.49 120.45 0.94 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 53.52 112.467 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.15 36.14 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 64.04 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.26 89.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 62.13 112.476 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.71 -123.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.803 -0.713 . . . . 63.23 112.494 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.99 52.67 0.63 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.772 . . . . 61.34 112.446 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -52.7 141.71 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 75.44 110.911 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.46 96.05 0.83 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 61.32 112.457 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.879 HG12 HG22 ' A' ' 73' ' ' THR . 2.6 t -131.08 134.15 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 73.44 111.125 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.98 37.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.899 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.879 HG22 HG12 ' A' ' 71' ' ' VAL . 12.0 t -152.52 40.63 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.116 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 145.78 151.49 5.43 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 72.44 112.448 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.58 176.0 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 52.3 111.068 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -111.87 113.52 25.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.907 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -96.48 118.49 33.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.93 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.57 HD13 ' CG ' ' A' ' 59' ' ' ASP . 22.4 tp -97.41 108.18 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.901 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 23.7 t -91.24 145.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 53.3 111.116 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.401 ' OG ' HG22 ' A' ' 117' ' ' THR . 8.5 t -150.58 164.57 35.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.5 110.866 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t30 63.7 36.2 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 71.12 110.941 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -102.94 159.34 15.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.893 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -54.77 177.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.23 110.871 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -91.89 -10.08 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.94 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.42 -19.07 62.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 71.22 112.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 82' ' ' LEU . 12.9 p -50.2 147.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 55.13 111.163 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -149.57 166.04 30.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.882 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.43 -59.1 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 70.52 110.858 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.54 81.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.23 111.061 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -61.01 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.821 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.43 -33.47 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 71.52 111.095 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.505 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -55.95 -61.27 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 75.04 110.864 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -62.23 -47.45 84.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 50.43 110.86 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.6 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.1 OUTLIER -51.17 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 61.13 110.908 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 101' ' ' LEU . 35.6 m-85 -59.42 -28.79 67.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.22 110.86 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.56 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.153 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.71 -30.42 43.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.33 110.817 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -67.26 -52.18 43.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 72.2 110.837 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.93 -99.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 75.13 112.51 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -138.97 136.37 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 53.01 111.145 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 95' ' ' PHE . 49.9 mt -112.77 146.5 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.23 110.918 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.49 -31.99 11.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.94 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -158.21 153.57 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 74.51 110.865 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.505 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -155.69 127.56 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 52.41 111.09 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.47 157.49 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 42.13 111.119 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.3 p -125.49 152.58 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 70.41 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -97.6 127.8 43.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 65.52 110.891 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -120.42 162.73 19.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.921 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.746 ' OD1' HD21 ' A' ' 115' ' ' LEU . 3.6 t0 -104.59 -177.28 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.908 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -63.23 -26.73 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 65.4 110.865 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.3 m -74.71 -22.32 58.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 64.22 110.834 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.11 41.51 4.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 75.4 112.449 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -141.67 151.55 43.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 72.4 110.885 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.09 114.96 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 63.31 110.88 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.746 HD21 ' OD1' ' A' ' 109' ' ' ASP . 8.5 mt -59.15 -24.64 63.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 60.41 110.902 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.96 5.74 7.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 61.24 112.513 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.401 HG22 ' OG ' ' A' ' 80' ' ' SER . 7.3 p -143.23 141.95 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 64.32 111.191 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -128.64 164.35 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.13 111.07 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -138.65 109.51 6.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.879 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.632 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -125.96 128.95 72.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 72.23 111.168 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -94.6 121.45 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.35 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.54 ' CD1' HD23 ' A' ' 77' ' ' LEU . 3.6 m-85 -80.17 146.02 32.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.853 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -72.76 -15.6 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 64.45 110.881 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 144.71 29.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.849 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -32.47 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.835 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.65 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.024 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.05 -28.28 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.41 110.824 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -65.25 -50.94 63.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.08 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.6 tm? -66.27 -43.31 86.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.882 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.53 -46.22 83.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.933 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -62.33 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 74.31 111.14 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.91 -32.67 46.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 73.32 110.942 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -77.06 -29.8 55.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.876 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -10.86 45.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 72.12 110.869 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.495 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.6 m-30 -105.66 -43.77 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 74.24 110.878 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -50.97 112.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 75.05 110.891 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.02 0.65 31.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 72.35 112.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.1 t -81.78 113.1 40.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.648 0.737 . . . . 73.11 111.177 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 130.1 18.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 60.01 112.358 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.411 ' CD1' HG22 ' B' ' 112' ' ' VAL . 7.9 tp -127.16 97.85 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 70.33 110.911 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.35 35.62 20.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.91 38.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 74.32 112.448 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.1 96.57 7.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.653 0.74 . . . . 72.12 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 116.02 4.38 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.699 2.266 . . . . 52.02 112.34 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mtp -61.06 145.59 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.53 110.866 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -132.89 109.75 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 72.11 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.26 135.36 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 71.04 111.137 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.72 115.56 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.872 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.714 ' HA ' HD13 ' A' ' 77' ' ' LEU . 25.8 tp -71.78 124.85 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.44 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.3 t -114.81 125.53 72.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 52.12 111.149 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -95.82 95.66 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.073 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.0 t -175.66 153.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 55.52 110.919 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.501 ' CD ' HG21 ' A' ' 71' ' ' VAL . 19.1 pt20 -171.58 155.03 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 70.12 110.875 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 65.9 mt -116.48 -42.73 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 65.22 111.145 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.46 77.16 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.0 110.941 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 pp -82.0 -29.5 32.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.93 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -73.93 -57.9 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 65.52 110.879 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.9 t60 55.73 45.77 23.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.492 . . . . 65.01 110.921 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -156.93 144.43 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.45 110.814 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -100.34 148.91 24.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.794 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -135.41 140.33 44.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.42 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -152.94 115.07 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 70.25 110.917 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 13.0 p80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 71.13 110.856 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.381 0.434 . . . . 74.13 112.447 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -33.38 16.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.654 2.236 . . . . 64.22 112.395 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.09 125.6 47.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 74.22 110.97 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.19 -92.41 0.68 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 60.31 112.569 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.5 m 52.37 36.26 19.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.938 0.399 . . . . 52.15 110.905 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 5.8 t -88.95 116.2 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 71.05 110.834 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 11.9 p -127.46 29.47 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 75.32 110.877 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.48 -16.22 10.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 74.31 110.918 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.1 t -130.31 174.94 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.53 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 28.1 m -73.04 150.58 42.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 73.52 110.857 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.634 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.3 t90 -56.98 -26.37 59.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 63.43 110.837 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -76.01 -35.85 59.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 53.22 111.06 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -55.9 25.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 65.02 110.836 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -51.2 -44.57 61.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 108' ' ' TRP . 62.4 t -62.63 -45.0 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 71.21 111.168 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.6 ' HG3' HD12 ' A' ' 94' ' ' LEU . 67.9 mtp180 -60.14 -37.53 80.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 60.4 110.828 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -70.51 -43.73 69.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.66 96.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 62.21 111.092 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -74.46 -38.68 62.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 63.34 111.046 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.51 -53.6 43.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 64.3 111.128 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -63.74 -26.91 68.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 72.53 110.918 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -88.32 55.03 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.886 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.863 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.9 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.723 0.297 . . . . 75.24 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.2 174.86 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 54.33 111.1 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.1 p -157.52 -178.68 7.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 63.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.7 mtp -120.41 126.42 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 62.15 110.851 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -152.82 141.7 21.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 70.23 111.207 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.06 -177.69 18.26 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.75 . . . . 72.41 112.487 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.31 129.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 41.43 112.52 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -172.47 124.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.738 0.304 . . . . 71.35 110.918 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -153.6 115.01 4.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 73.14 110.937 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.3 mtt -144.7 133.98 23.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 75.55 110.944 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.13 146.76 5.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 75.22 112.457 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -95.87 130.72 42.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.349 . . . . 72.1 110.896 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.07 160.56 42.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 72.11 110.882 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.13 32.19 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.697 2.265 . . . . 61.44 112.33 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.14 -26.49 38.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 62.52 110.843 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -115.13 29.03 8.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.888 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -104.48 152.99 21.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 74.11 110.926 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -146.5 151.42 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.15 110.881 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -115.86 -24.28 8.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 63.03 110.819 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.75 -18.93 61.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 74.11 110.874 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.5 mt -86.59 10.27 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 61.12 110.92 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -101.15 159.72 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 63.35 110.866 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -135.7 172.19 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 62.1 110.881 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.4 p -157.9 98.3 1.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.891 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.6 117.12 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.768 . . . . 43.42 112.498 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.4 t -73.95 167.68 21.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.876 0.369 . . . . 71.41 110.846 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.04 -157.47 7.65 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 65.54 112.526 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.81 170.49 12.36 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 74.3 112.404 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.49 97.9 2.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 63.3 112.527 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.82 158.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.367 . . . . 72.22 110.906 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.51 -98.33 0.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 70.44 112.505 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.664 ' CG1' HG22 ' A' ' 73' ' ' THR . 13.4 t -141.47 141.64 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 52.21 111.056 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.59 47.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 65.54 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.664 HG22 ' CG1' ' A' ' 71' ' ' VAL . 11.3 t -144.22 14.46 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.191 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 135.84 157.63 7.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.721 . . . . 73.41 112.506 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.85 154.05 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 72.22 111.104 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -93.89 112.47 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.914 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 149' ' ' LEU . 3.7 mp -96.79 139.25 33.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.854 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 118' ' ' ALA . 28.0 tp -118.15 115.41 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.906 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.41 145.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 73.12 111.154 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 117' ' ' THR . 19.3 m -148.22 158.64 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.911 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t30 63.73 45.54 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.974 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.692 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -109.16 160.79 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 70.2 110.976 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.11 177.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.44 110.829 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -92.57 -14.38 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.899 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.52 -15.36 76.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 74.25 112.482 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.692 HG11 HD13 ' A' ' 82' ' ' LEU . 12.5 p -50.51 146.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 65.25 111.111 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -150.19 166.26 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.853 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.6 -59.67 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.52 77.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 74.53 111.144 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.5 -60.42 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 74.22 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.034 HD12 HG22 ' A' ' 120' ' ' VAL . 46.5 pt -61.0 -28.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 73.55 111.149 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -60.63 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.2 -47.16 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 65.5 110.901 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.472 HD13 HG11 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -51.29 -66.76 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.894 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CB ' HD11 ' A' ' 101' ' ' LEU . 13.3 m-85 -57.93 -29.56 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 75.21 110.919 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.23 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.02 111.091 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -30.53 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.15 110.904 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -69.55 -51.35 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 62.15 110.847 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.61 -104.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 71.04 112.464 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.1 m -130.39 145.43 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 70.43 111.107 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.706 HD11 ' CB ' ' A' ' 95' ' ' PHE . 39.4 mt -124.8 147.32 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.883 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -101.49 -26.83 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.912 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.08 151.12 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.25 110.907 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.52 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -153.37 107.0 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 64.4 111.083 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.68 157.23 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 73.23 111.148 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 118' ' ' ALA . 9.5 p -127.31 149.39 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.05 111.127 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.5 129.91 37.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.909 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.39 155.97 27.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.949 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -95.88 178.77 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.876 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -25.77 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.942 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.2 m -74.79 -22.28 58.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 61.34 110.823 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.74 22.11 13.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 72.31 112.539 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -124.4 156.77 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.328 . . . . 72.2 110.914 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.7 t -52.97 118.43 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.21 110.85 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.82 -24.6 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.936 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.98 -15.62 5.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.676 -0.773 . . . . 14.2 112.491 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 80' ' ' SER . 63.9 p -134.84 142.18 46.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 75.31 111.12 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -122.79 169.77 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.06 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.0 114.97 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.874 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 1.034 HG22 HD12 ' A' ' 91' ' ' ILE . 2.7 t -120.47 125.51 74.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 74.14 111.094 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -95.03 114.07 25.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.883 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -84.84 146.82 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 40.12 110.889 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -83.17 -15.31 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.92 142.97 42.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 64.43 110.871 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.593 ' HD2' HD11 ' A' ' 149' ' ' LEU . 12.1 tpt180 -75.11 -43.94 49.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.859 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.59 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 62.44 111.15 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.64 -35.17 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.864 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.429 ' HB1' HD12 ' A' ' 149' ' ' LEU . . . -64.22 -40.28 95.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 32.2 111.108 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -69.77 -46.39 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 62.51 110.91 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -64.07 -40.5 96.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.05 110.903 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.07 -61.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.075 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -33.05 60.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.04 110.828 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -78.87 -28.22 44.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 74.23 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.93 -11.03 45.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 72.32 110.919 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.05 -43.81 4.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 71.53 110.944 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -50.08 112.19 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 70.24 110.911 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.09 4.52 33.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 73.43 112.464 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 135' ' ' TYR . 53.5 t -86.22 112.47 46.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 53.44 111.128 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.63 17.96 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.659 2.239 . . . . 62.32 112.378 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.8 tp -124.95 97.81 5.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.929 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 51.42 35.23 13.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 75.42 110.862 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.68 20.01 32.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 51.23 112.543 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -140.97 95.19 7.68 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 71.42 110.819 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.05 4.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 64.32 112.321 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.7 mtp -63.6 146.74 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 74.03 110.828 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -135.5 108.88 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 55.01 110.901 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.62 135.5 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.32 111.108 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.65 114.36 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.12 110.937 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 77' ' ' LEU . 8.5 tt -74.48 131.28 40.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 70.52 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 73.0 t -121.21 127.19 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 61.22 111.146 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.06 95.43 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 54.54 111.07 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.8 p -140.8 40.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 64.54 110.884 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -123.24 149.92 44.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 71.21 110.861 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 30.7 mm -120.18 -47.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.42 111.093 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.425 ' HB3' HG21 ' A' ' 73' ' ' THR . 38.8 t70 52.19 53.41 12.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 75.34 110.906 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 156' ' ' LEU . 0.9 OUTLIER -85.51 -24.63 27.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.923 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -56.15 -26.67 51.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.834 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 57.64 37.51 27.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.883 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -73.24 -27.38 61.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 65.22 110.853 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -70.53 167.01 19.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -171.25 162.58 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.864 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -101.13 160.13 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 72.51 110.827 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 121.48 0.489 . . . . 74.34 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 110.73 2.62 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.716 2.277 . . . . 53.14 112.355 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -97.48 179.61 4.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 74.15 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.01 78.79 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 64.11 112.512 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.1 p -112.17 142.39 44.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 74.05 110.895 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.2 t -81.54 57.57 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.771 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.18 150.58 23.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 54.22 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.57 -18.82 11.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.883 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.7 t -152.29 173.18 15.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 51.34 111.189 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 54.4 m -65.96 -173.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 74.32 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.539 ' CH2' HG23 ' A' ' 86' ' ' VAL . 65.5 t90 -88.56 -23.49 23.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 70.31 110.871 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.52 -25.17 38.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 54.02 111.103 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -69.31 -55.63 9.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 73.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -50.65 -49.38 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.872 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.472 HG11 HD13 ' A' ' 94' ' ' LEU . 6.5 p -66.8 -37.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.45 111.11 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -58.98 -40.14 83.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.856 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.2 -42.24 56.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 75.51 110.872 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.87 -44.78 78.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 53.34 111.136 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -77.2 -47.33 20.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 64.01 111.1 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.94 -34.42 65.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 52.14 111.106 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -63.97 -27.08 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 70.22 110.959 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -95.88 33.54 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 63.25 110.867 -179.855 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.8 ttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.687 0.279 . . . . 75.42 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.36 76.62 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 71.42 111.101 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -70.95 107.09 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 42.25 110.847 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -34.64 78.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.869 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.6 p -54.03 131.87 41.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 75.52 111.147 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.25 147.13 18.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 75.13 112.523 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.58 -20.0 11.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 54.23 112.515 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -78.91 75.52 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 71.24 110.927 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -70.59 171.72 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 70.1 110.891 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.2 ttt -118.24 139.22 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.45 110.904 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.19 112.08 3.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.805 -0.712 . . . . 74.34 112.485 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -114.77 157.12 23.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 72.02 110.912 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.39 160.69 81.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 63.14 110.92 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.91 -17.0 37.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.633 2.222 . . . . 65.35 112.353 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.24 -30.34 43.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.833 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -68.51 -28.37 66.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 50.12 110.894 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -52.23 127.23 21.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.914 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -65.94 151.74 46.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 73.33 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -99.16 37.85 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.33 110.84 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -87.94 -26.19 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.835 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.7 mt -87.25 10.7 16.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.923 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -93.67 179.32 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.836 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -108.05 121.57 45.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 71.02 110.849 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.76 -30.29 32.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 52.31 110.866 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.56 114.28 0.88 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 74.24 112.542 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 p -127.83 35.99 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 64.13 110.873 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.85 67.48 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 24.51 112.413 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.75 60.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 61.44 112.515 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.47 -51.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.763 . . . . 51.14 112.458 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.61 132.81 54.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 62.03 110.912 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.08 97.75 1.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 62.21 112.491 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 73' ' ' THR . 11.7 t -140.71 142.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 63.12 111.19 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.61 48.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 65.03 110.916 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.704 HG22 HG12 ' A' ' 71' ' ' VAL . 11.4 t -149.1 17.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 45.33 111.158 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.44 148.13 4.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 73.2 112.523 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 150' ' ' VAL . . . -163.98 152.64 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 74.11 111.085 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -86.8 122.71 31.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.75 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.3 mm? -106.18 121.41 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.872 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.9 tp -98.51 126.05 43.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 61.43 110.875 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.582 ' CG1' HD23 ' A' ' 82' ' ' LEU . 89.8 t -105.19 142.79 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 54.02 111.092 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 117' ' ' THR . 19.3 m -149.1 161.57 41.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.862 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.89 45.06 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 64.22 110.906 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.723 HD13 HG11 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -110.36 159.35 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.962 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -55.61 177.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.805 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -93.78 -5.31 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 55.34 110.917 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.01 -15.09 56.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 71.51 112.518 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.723 HG11 HD13 ' A' ' 82' ' ' LEU . 7.1 p -49.11 146.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 74.41 111.177 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.64 159.44 42.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.794 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.57 -49.82 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 71.42 110.82 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.22 -36.49 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 50.23 111.101 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.4 -52.04 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 60.4 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.703 HD12 ' CG1' ' A' ' 120' ' ' VAL . 17.1 pt -67.01 -37.73 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 62.3 111.142 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.509 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -56.13 -60.23 3.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.938 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.83 -47.45 86.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 73.53 110.83 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.559 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.3 OUTLIER -51.74 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.847 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.731 ' HB2' HD11 ' A' ' 101' ' ' LEU . 11.2 m-85 -57.43 -29.98 64.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.878 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.23 72.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 75.02 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.81 -30.67 34.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.943 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -68.33 -52.03 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 75.1 110.885 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.51 -99.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.805 -0.712 . . . . 70.22 112.52 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -142.88 134.3 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 44.41 111.113 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 95' ' ' PHE . 66.2 mt -109.86 149.58 29.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 62.23 110.892 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -103.2 -27.42 12.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 154.7 26.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 62.15 110.918 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.35 129.48 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 62.31 111.152 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.99 157.35 43.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 72.13 111.125 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.77 149.5 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.33 124.05 38.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.869 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -117.56 149.76 40.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.917 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -94.44 169.34 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 44.31 110.867 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -24.57 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.11 110.845 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.84 -22.3 62.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.899 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 98.49 25.81 9.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 73.11 112.523 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -134.56 152.72 51.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 73.14 110.866 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.7 t -51.81 128.93 25.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.878 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.74 -25.26 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 63.52 110.898 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.78 -1.01 7.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 44.22 112.427 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 80' ' ' SER . 11.7 p -142.56 142.07 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 60.12 111.145 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -124.61 169.84 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 63.24 111.051 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.03 125.4 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 53.11 110.807 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.703 ' CG1' HD12 ' A' ' 91' ' ' ILE . 1.3 m -140.28 142.13 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 51.4 111.117 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -95.1 126.98 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 71.42 110.812 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 101' ' ' LEU . 13.1 m-85 -93.52 139.42 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 53.34 110.823 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -69.82 -24.97 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 71.4 110.88 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.2 142.07 47.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 64.3 110.948 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.26 62.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 72.12 110.893 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.77 -63.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 65.52 111.118 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.37 -34.02 55.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 61.12 110.842 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.75 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -68.53 -45.77 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 53.35 111.134 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -60.64 -49.5 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.874 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.98 -41.17 97.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.913 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.43 -62.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 63.44 111.102 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -31.74 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.2 110.906 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -77.23 -29.76 54.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.951 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -89.65 -12.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 61.32 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.6 m-30 -103.89 -42.43 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.941 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -50.77 112.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.811 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 2.64 31.04 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 61.43 112.51 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' B' ' 116' ' ' ALA . 54.1 t -83.15 112.64 40.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 70.31 111.079 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 132.16 22.73 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.653 2.235 . . . . 64.31 112.352 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.867 HD11 HG22 ' B' ' 112' ' ' VAL . 0.4 OUTLIER -132.85 98.22 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.903 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 10.9 t0 54.3 38.04 28.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 65.44 110.85 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.98 21.04 51.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.4 112.463 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -140.9 95.5 7.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 73.42 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 115.77 4.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 74.42 112.354 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.8 mtp -60.1 147.39 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.849 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -137.0 107.63 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 61.34 110.843 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.439 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.0 mp -109.27 140.61 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 75.51 111.172 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.69 127.38 48.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.873 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.646 HD22 ' N ' ' A' ' 150' ' ' VAL . 1.0 OUTLIER -86.97 117.08 25.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.957 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.646 ' N ' HD22 ' A' ' 149' ' ' LEU . 55.6 t -117.78 120.73 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.108 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -112.58 93.85 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 53.24 111.111 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.3 m -134.13 92.22 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 62.21 110.913 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -170.56 170.45 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.54 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 65.8 mt -123.15 -38.87 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 55.34 111.122 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.1 t70 56.04 47.93 18.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.89 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.7 pp -87.05 -26.64 23.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 53.5 111.001 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.3 -32.44 71.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.945 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -117.79 112.78 20.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.851 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -128.25 163.03 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 74.51 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -128.9 156.11 44.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.3 110.851 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -105.32 156.57 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -76.43 106.64 8.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.829 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 73.14 110.871 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.49 0.494 . . . . 70.24 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 145.48 57.25 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.683 2.255 . . . . 74.12 112.416 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 2.6 tp -171.41 127.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 72.43 110.932 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.44 23.3 20.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 35.01 112.528 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.0 t -72.78 140.04 47.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 61.32 110.837 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.98 51.28 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 53.12 110.779 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 89.3 m -105.89 177.64 4.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 22.12 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -75.46 -27.21 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.9 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.1 t -175.54 175.99 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 73.12 111.114 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.71 149.35 38.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 74.02 110.854 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.688 ' O ' HG23 ' B' ' 112' ' ' VAL . 60.1 t90 -54.16 -28.32 39.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 74.02 110.905 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -71.23 -31.92 68.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 63.2 111.033 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.79 -58.89 5.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 62.11 110.824 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -51.01 -34.07 27.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.841 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.867 HG22 HD11 ' A' ' 140' ' ' LEU . 92.1 t -67.58 -60.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 71.24 111.14 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -57.26 -24.79 57.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -77.49 -46.1 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 62.35 110.82 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.9 72.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 43.51 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -80.8 -46.45 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 65.11 111.123 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.03 61.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.152 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -60.05 -26.12 65.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.21 110.925 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 78.3 mtt-85 -89.1 60.82 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 62.22 110.887 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.735 0.303 . . . . 70.33 110.829 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.08 152.0 44.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 74.42 111.06 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -101.07 -177.53 3.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 62.31 110.862 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.4 mtp -92.27 104.38 16.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 63.15 110.837 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 t -174.74 130.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.191 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.93 51.71 4.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 63.01 112.469 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.07 113.2 3.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 61.3 112.469 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -76.75 70.44 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 74.51 110.914 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -105.22 43.09 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 75.03 110.893 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.3 mtt -95.76 139.38 32.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 63.44 110.93 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.32 97.6 2.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 72.32 112.482 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -65.28 128.91 37.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 71.34 110.869 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.54 158.51 1.47 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.582 0.706 . . . . 72.24 110.858 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.79 -18.52 36.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 55.51 112.322 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.97 -28.66 65.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 73.02 110.847 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -52.81 -32.38 43.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -52.74 140.32 24.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 72.01 110.938 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -116.16 67.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 64.12 110.894 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 53.0 33.29 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 70.1 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -78.06 -35.11 49.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 52.11 110.849 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -86.92 10.95 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.32 110.951 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -117.05 158.58 23.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.942 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -116.99 65.85 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.843 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -100.68 -30.25 11.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 70.25 110.801 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.03 21.25 18.38 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.673 -0.775 . . . . 74.11 112.519 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.5 t -156.96 149.06 22.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.342 . . . . 71.11 110.886 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.77 -94.87 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 72.33 112.454 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.85 -50.38 0.89 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.795 -0.717 . . . . 71.33 112.52 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.64 -36.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 71.32 112.466 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.08 126.62 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.973 0.416 . . . . 64.31 110.93 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.26 80.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 74.32 112.55 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.903 HG12 HG22 ' A' ' 73' ' ' THR . 2.2 t -126.89 131.16 71.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 70.33 111.146 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -95.55 36.91 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 71.1 110.859 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.903 HG22 HG12 ' A' ' 71' ' ' VAL . 13.4 t -148.29 38.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.143 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.66 148.61 4.88 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 64.31 112.509 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.66 164.47 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 74.12 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -100.56 113.88 27.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 70.52 110.843 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.689 HD21 ' HB1' ' A' ' 128' ' ' ALA . 1.9 mm? -97.78 129.17 44.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.879 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 118' ' ' ALA . 48.5 tp -109.48 126.21 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.51 110.903 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.7 t -103.65 146.47 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.18 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 117' ' ' THR . 58.3 p -149.92 158.85 44.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.872 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t30 64.44 44.32 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.729 HD13 HG11 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -107.44 159.5 16.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 60.25 110.919 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.632 ' CG ' HD23 ' A' ' 140' ' ' LEU . 25.5 m-20 -55.25 177.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 75.34 110.835 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -93.13 -10.99 33.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.903 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.05 -17.02 66.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 64.12 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 82' ' ' LEU . 11.6 p -49.57 146.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 65.43 111.145 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.45 165.29 32.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 64.32 110.914 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.62 -60.03 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.888 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.88 -38.91 76.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.11 111.097 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.35 -60.43 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.871 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.917 HD12 HG22 ' A' ' 120' ' ' VAL . 44.7 pt -61.66 -28.98 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.34 111.11 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -60.79 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.51 110.95 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.4 -47.27 86.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 61.05 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.48 HD13 ' CG1' ' B' ' 112' ' ' VAL . 0.4 OUTLIER -51.42 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.897 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.711 ' CB ' HD11 ' A' ' 101' ' ' LEU . 11.4 m-85 -57.76 -29.36 64.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.886 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.42 70.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.092 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -30.08 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -69.98 -49.61 49.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 63.12 110.842 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.09 -106.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 63.23 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -129.91 143.55 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 70.33 111.158 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.711 HD11 ' CB ' ' A' ' 95' ' ' PHE . 38.6 mt -122.46 147.75 45.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 -28.01 11.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.864 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -156.99 149.03 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 72.12 110.921 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.41 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -156.38 112.16 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 65.41 111.096 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.31 156.26 47.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 55.11 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.16 149.66 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 75.21 111.062 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.88 126.23 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 53.1 110.845 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -115.6 149.77 37.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.946 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -89.31 -176.84 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 55.31 110.908 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -65.2 -28.08 69.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 65.32 110.843 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -74.3 -22.34 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.885 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.32 33.22 5.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 73.24 112.507 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.8 mmt-85 -134.34 154.63 51.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 54.23 110.924 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -52.0 120.95 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 41.43 110.816 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.98 -27.8 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 71.32 110.934 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 133.43 -11.03 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.788 -0.72 . . . . 71.3 112.504 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 80' ' ' SER . 52.3 p -140.72 141.84 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 52.35 111.119 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -121.76 166.3 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 64.32 111.124 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -127.43 131.5 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.873 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.917 HG22 HD12 ' A' ' 91' ' ' ILE . 2.3 t -141.45 125.03 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 74.2 111.081 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -95.19 119.44 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.817 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -90.1 145.33 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 62.02 110.902 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -79.87 -15.73 56.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 52.25 110.909 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.71 136.38 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 74.32 110.875 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -69.67 -31.22 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.881 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.02 -64.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.04 111.085 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -53.68 -34.53 59.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 61.42 110.777 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.689 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -68.73 -60.17 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 52.32 111.08 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.85 HD23 HD22 ' A' ' 149' ' ' LEU . 0.9 OUTLIER -47.75 -51.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 65.44 110.943 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.4 -43.16 98.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 60.43 110.882 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.7 -61.66 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 31.22 111.128 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 77' ' ' LEU . 1.3 ptt? -59.79 -29.64 68.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.913 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -74.46 -30.19 61.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.878 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -17.29 26.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.975 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.5 m-30 -96.22 -43.91 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.913 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -49.64 112.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 72.1 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.24 3.24 29.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 53.32 112.486 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' B' ' 116' ' ' ALA . 52.8 t -85.02 112.75 45.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 72.25 111.135 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 129.42 17.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 54.25 112.304 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.632 HD23 ' CG ' ' A' ' 83' ' ' ASP . 6.2 tp -125.08 97.94 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.912 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.25 33.96 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 53.2 110.928 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.43 19.75 31.71 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.652 -0.785 . . . . 41.32 112.431 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -141.11 98.66 6.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 70.32 110.9 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 116.23 4.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.252 . . . . 64.11 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -62.96 143.08 58.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 71.33 110.863 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -132.38 108.27 9.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.859 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.64 144.53 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 74.52 111.152 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.98 144.42 48.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 71.31 110.862 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.85 HD22 HD23 ' A' ' 129' ' ' LEU . 1.0 OUTLIER -95.15 130.61 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 61.42 110.915 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.6 119.55 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 74.12 111.137 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -93.46 90.03 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 53.12 111.081 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 94.4 p -158.05 126.92 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.845 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.0 148.71 48.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 72.15 110.887 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.45 -57.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.33 111.122 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -174.54 101.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.769 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.1 -4.55 58.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 72.3 110.869 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -95.98 28.29 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 64.34 110.919 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -66.3 -33.92 76.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.853 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -62.08 125.97 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.896 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 25.6 t60 -69.01 160.42 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 62.41 110.842 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -167.48 160.55 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 53.43 110.84 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -142.94 118.18 10.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 64.44 110.867 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 11.3 t60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 62.12 110.839 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 121.43 0.461 . . . . 73.42 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -17.11 38.1 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.673 2.248 . . . . 72.32 112.404 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mp -91.42 62.93 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.921 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.28 -113.82 0.83 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.678 -0.773 . . . . 64.54 112.45 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 24.5 m -63.4 126.44 27.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.933 0.397 . . . . 72.45 110.916 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 97.9 p -86.19 112.97 21.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 72.01 110.863 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 54.1 t -81.93 99.05 8.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 70.55 110.863 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 -171.76 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 74.15 110.916 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.7 t -55.52 175.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 63.43 111.191 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.7 m -63.26 -178.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 61.31 110.857 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.554 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 64.2 t90 -83.4 -25.98 30.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.918 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -77.51 -22.76 50.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 53.15 111.118 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -56.86 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.88 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -50.06 -49.0 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 64.5 110.815 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.48 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.3 p -66.8 -36.34 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 45.25 111.174 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -66.4 -40.33 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 50.44 110.816 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.54 -28.69 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.91 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.68 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 72.12 111.115 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.52 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -79.13 -40.46 30.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 73.54 111.095 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.6 -41.26 61.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 63.3 111.121 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -76.5 -25.66 54.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 72.11 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.5 mtt-85 -89.04 65.24 7.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 64.3 110.839 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.839 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.6 mmt . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.785 0.326 . . . . 73.03 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.24 163.62 36.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.113 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 p -148.51 160.82 42.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.856 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.43 145.32 39.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 64.52 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 t -112.48 138.08 49.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 75.2 111.189 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.83 -113.66 0.58 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 65.01 112.497 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.2 -116.67 0.73 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 73.21 112.504 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 58.33 47.39 14.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 32.23 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -82.86 136.32 34.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 51.33 110.929 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.0 tpt -133.56 90.69 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.882 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.04 166.38 12.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 53.53 112.53 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -88.75 141.72 28.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 74.44 110.897 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.53 160.43 69.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 72.13 110.908 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -15.59 37.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.736 2.29 . . . . 73.23 112.354 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -77.4 -32.05 54.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 50.1 110.887 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -99.63 22.94 10.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 73.4 110.878 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -12.68 60.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.23 110.928 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -96.75 133.17 41.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.913 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -143.58 38.81 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.922 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -88.11 -27.95 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.906 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -83.15 5.25 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.965 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -51.32 158.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 71.41 110.902 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -134.45 -176.06 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.849 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.8 p -101.84 64.28 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 64.2 110.873 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.23 68.27 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 63.32 112.52 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.4 t -140.1 158.96 43.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.875 0.369 . . . . 64.23 110.909 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.14 123.62 0.69 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 43.21 112.468 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.09 20.06 5.99 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.786 -0.721 . . . . 71.24 112.472 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.57 57.69 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.793 -0.718 . . . . 63.31 112.525 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 151' ' ' ALA . 5.5 pm0 -108.84 145.34 35.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.352 . . . . 71.22 110.872 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.2 77.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 63.03 112.46 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.826 HG12 HG22 ' A' ' 73' ' ' THR . 4.6 t -134.25 134.37 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 75.13 111.091 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.43 49.2 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 72.24 110.862 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.826 HG22 HG12 ' A' ' 71' ' ' VAL . 12.4 t -146.66 15.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 71.3 111.138 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.23 164.15 10.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 72.23 112.565 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.58 167.42 21.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 72.43 111.086 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -104.89 113.53 27.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 61.4 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.832 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -93.59 140.31 29.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 70.33 110.874 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.06 109.38 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.929 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 71.32 111.147 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.471 ' HA ' HG22 ' A' ' 117' ' ' THR . 50.5 m -146.39 158.52 43.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 61.32 110.858 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.77 44.95 4.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 72.53 110.922 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -106.95 161.68 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.895 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -54.81 177.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 63.35 110.866 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -96.88 5.98 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.54 110.838 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.95 -4.81 44.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 44.31 112.535 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.842 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 13.8 t -51.54 147.76 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.817 0.342 . . . . 53.13 111.146 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.34 160.21 43.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 70.41 110.893 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -56.04 10.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.902 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.35 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.14 111.153 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.59 -54.49 45.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.872 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.85 HD12 HG22 ' A' ' 120' ' ' VAL . 32.7 pt -67.29 -31.39 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 64.44 111.149 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -61.65 -61.38 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 54.14 110.947 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.0 -47.62 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.942 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.23 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.53 110.891 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.743 ' HB2' HD11 ' A' ' 101' ' ' LEU . 12.6 m-85 -59.52 -27.6 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.88 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.3 71.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.42 111.078 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.73 -30.58 56.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 52.35 110.877 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -68.74 -51.05 45.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.823 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.56 -100.94 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 73.1 112.426 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -134.7 143.75 47.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 64.41 111.128 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' A' ' 95' ' ' PHE . 43.0 mt -120.23 144.65 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 73.2 110.913 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -99.7 -27.01 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 54.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 157.85 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 74.45 110.847 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.444 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -156.23 131.76 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 65.51 111.088 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.55 154.45 42.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 34.43 111.08 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -131.77 139.88 49.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 73.15 111.101 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.516 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -80.33 131.78 35.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 60.52 110.971 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -126.71 149.03 49.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.23 -0.441 . . . . 63.02 110.969 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.456 ' OD2' HD23 ' A' ' 115' ' ' LEU . 2.2 m-20 -78.28 -173.31 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 73.34 110.867 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.0 ptt-85 -74.82 -19.14 60.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 75.14 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.9 m -86.56 -22.46 26.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 72.22 110.858 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.16 50.0 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.714 . . . . 63.44 112.479 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -145.36 151.05 37.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 73.25 110.88 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.53 129.13 24.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 43.3 110.855 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 107' ' ' ASP . 5.5 mt -73.84 -20.91 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 72.01 110.918 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.06 -15.83 6.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.671 -0.776 . . . . 71.43 112.56 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 80' ' ' SER . 35.4 p -137.14 141.91 42.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 64.44 111.16 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.569 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -126.82 168.12 14.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 70.23 111.073 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.29 125.64 28.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 44.11 110.867 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.85 HG22 HD12 ' A' ' 91' ' ' ILE . 3.1 t -128.13 131.2 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 62.11 111.102 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -96.59 114.18 25.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.868 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.54 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.3 m-85 -86.99 140.82 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 65.52 110.91 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.92 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 63.22 110.833 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 146.07 49.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.834 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -74.68 -35.4 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 73.53 110.824 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.98 -63.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 75.52 111.149 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.11 -28.08 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 62.45 110.912 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.832 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.59 -45.68 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.2 tm? -68.62 -44.51 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.01 110.927 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -64.53 -45.27 87.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.913 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.51 -61.86 2.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.181 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -34.28 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.859 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -78.12 -27.68 48.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 72.11 110.877 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -10.97 45.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.2 110.94 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.87 -42.42 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.915 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -50.94 112.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 74.32 110.93 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.68 2.87 34.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 63.13 112.515 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' B' ' 116' ' ' ALA . 54.1 t -85.14 112.81 46.24 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 121.597 0.713 . . . . 62.43 111.115 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 129.91 18.38 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.737 2.291 . . . . 52.14 112.276 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.491 HD13 HG22 ' B' ' 112' ' ' VAL . 9.8 tp -125.4 97.92 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.846 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.3 t70 51.75 35.33 14.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.822 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.21 20.13 33.81 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.76 -0.733 . . . . 34.31 112.498 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -141.21 95.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.571 0.701 . . . . 62.35 110.882 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 116.12 4.4 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.684 2.256 . . . . 75.05 112.4 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.8 mtp -64.37 149.01 49.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 75.3 110.868 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -138.44 107.53 6.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.89 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 147' ' ' ILE . 5.2 mp -106.55 132.52 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 73.02 111.169 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.87 115.94 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.888 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.755 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.5 tt -76.89 127.14 32.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.933 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.5 t -115.62 124.78 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 71.41 111.09 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 69' ' ' GLU . . . -96.04 99.96 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 64.23 111.12 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.0 t -169.22 144.08 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 73.13 110.865 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -123.69 147.89 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 65.34 110.929 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 49.9 mt -117.08 -22.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 51.12 111.129 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.34 81.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.908 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 92.0 mt -86.12 -42.83 13.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 61.21 110.964 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -73.29 -37.27 66.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.842 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -53.8 125.38 18.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 71.42 110.845 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -127.89 149.13 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.9 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -127.04 70.84 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 74.21 110.841 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -140.35 148.51 41.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 65.41 110.846 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -89.61 121.29 31.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.829 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 32.7 p80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 73.23 110.867 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.432 0.462 . . . . 52.0 112.43 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 170.56 16.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.632 2.221 . . . . 71.04 112.322 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.401 ' N ' HD12 ' B' ' 100' ' ' LEU . 5.9 mp -113.39 167.05 10.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.964 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -152.62 128.72 2.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 72.33 112.576 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 46.8 p -175.69 147.14 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.929 0.395 . . . . 71.15 110.856 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.3 p -175.8 158.13 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 63.54 110.875 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 7.2 t -63.81 -41.85 97.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.847 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.0 -170.84 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.884 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -56.76 170.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 74.3 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 35.1 t -61.3 145.64 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.856 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.842 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 66.7 t90 -54.33 -28.05 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 74.43 110.936 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.11 61.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 65.14 111.086 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -54.22 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 54.22 110.898 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -52.03 -38.82 58.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.812 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 108' ' ' TRP . 72.3 t -70.18 -56.1 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.12 111.187 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -54.0 -32.92 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 64.11 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.79 -41.65 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.938 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.79 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 70.24 111.157 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.591 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -83.22 -47.08 11.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.09 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.39 -34.58 48.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 72.45 111.093 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -57.87 -31.61 66.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 73.12 110.895 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -83.87 60.97 6.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 73.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 61.03 110.878 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.76 0.314 . . . . 73.24 110.844 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.1 166.32 18.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.22 111.091 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -104.51 -67.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.834 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.2 mtp 62.75 38.16 12.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 74.3 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.5 m -120.58 110.15 16.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.465 . . . . 71.51 111.135 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.06 -162.07 10.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 62.11 112.462 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.37 130.08 1.98 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 74.12 112.506 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -117.62 72.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 70.02 110.893 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -99.48 117.3 33.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.85 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -140.35 179.71 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 72.33 110.895 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.49 -151.59 5.5 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 73.15 112.484 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -62.47 129.25 39.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 63.3 110.893 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.24 160.46 42.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.584 0.707 . . . . 73.34 110.909 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -21.27 34.25 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.72 2.28 . . . . 61.34 112.354 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -52.51 -30.07 28.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 71.43 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -57.06 -28.9 62.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.4 110.915 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -72.72 -175.87 1.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.853 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -107.08 149.12 27.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.2 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -127.27 38.78 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 71.33 110.829 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -79.76 -24.1 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 70.2 110.888 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.26 16.48 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 63.1 110.831 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -52.81 167.97 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 52.54 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.634 ' HB3' HG21 ' A' ' 117' ' ' THR . 2.0 t70 -109.78 165.8 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 70.55 110.894 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.9 m -98.77 -73.56 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 70.4 110.877 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.99 146.04 10.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 54.01 112.477 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 t -111.07 168.05 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 54.12 110.882 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.22 -157.25 29.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 74.3 112.515 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.12 -142.44 4.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 53.22 112.506 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 161.46 -34.67 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.695 -0.764 . . . . 60.25 112.441 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -65.91 -169.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 63.34 110.864 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.18 82.32 0.13 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 61.11 112.517 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.91 HG12 HG22 ' A' ' 73' ' ' THR . 5.4 t -111.13 118.83 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 74.32 111.08 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -90.0 54.08 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 52.35 110.931 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.91 HG22 HG12 ' A' ' 71' ' ' VAL . 13.5 t -164.29 26.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 72.34 111.098 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.13 153.95 6.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 54.44 112.512 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.07 177.02 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 51.04 111.016 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -108.94 113.99 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.906 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 149' ' ' LEU . 4.3 mm? -98.44 121.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.92 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.92 114.56 28.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 55.53 110.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.448 ' CG1' HD23 ' A' ' 82' ' ' LEU . 45.6 t -94.46 137.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 74.01 111.163 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 117' ' ' THR . 54.6 p -141.14 158.2 44.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 60.22 110.825 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.72 49.5 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.21 110.894 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -111.89 160.73 17.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.961 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.558 ' CG ' HD23 ' A' ' 140' ' ' LEU . 66.6 m-20 -53.43 174.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.893 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -92.39 8.59 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.918 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.97 -13.9 18.59 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.756 -0.735 . . . . 75.03 112.517 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.766 HG11 HD13 ' A' ' 82' ' ' LEU . 7.7 p -50.33 148.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 73.55 111.103 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.71 166.78 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.875 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.49 -58.76 5.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.921 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.71 77.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.02 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.0 -61.37 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.49 HD12 ' HB ' ' A' ' 120' ' ' VAL . 38.7 pt -59.98 -30.58 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 63.12 111.126 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.43 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -59.8 -61.13 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 60.34 110.926 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.61 -47.84 83.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.815 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.2 OUTLIER -51.2 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.968 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.733 ' HB2' HD11 ' A' ' 101' ' ' LEU . 30.7 m-85 -58.41 -29.68 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 74.34 110.881 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.96 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 70.1 111.076 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -54.42 -31.42 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.03 110.939 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -67.15 -51.48 53.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 62.5 110.887 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -157.54 -100.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.716 . . . . 72.34 112.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.5 m -143.05 132.64 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.337 . . . . 63.22 111.143 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 95' ' ' PHE . 82.3 mt -108.47 158.21 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 63.23 110.947 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -110.19 -35.34 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.912 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 151.1 32.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.99 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -155.7 128.59 8.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 73.51 111.109 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.18 157.2 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 65.44 111.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.52 152.69 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.13 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.31 120.52 40.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 61.35 110.819 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -112.78 157.48 21.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 72.31 110.904 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -98.66 -171.6 2.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 75.4 110.88 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -68.95 -27.1 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.903 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -72.84 -22.29 60.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.853 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.94 39.97 4.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 73.23 112.521 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -144.0 158.21 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 75.21 110.862 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 t -52.11 117.4 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 75.54 110.814 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.2 -25.6 59.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.958 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 131.91 -8.16 5.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 71.51 112.466 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.634 HG21 ' HB3' ' A' ' 62' ' ' ASP . 59.4 p -143.57 142.08 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 73.34 111.165 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -117.09 169.72 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 53.31 111.081 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -139.86 108.47 5.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 72.22 110.88 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -124.4 131.0 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 70.42 111.19 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.56 119.24 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.836 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.98 151.11 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 72.34 110.886 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.24 -19.03 51.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.24 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 145.07 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 72.43 110.865 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.465 HH21 HD23 ' A' ' 129' ' ' LEU . 11.4 tpt180 -70.12 -36.78 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.849 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.87 -64.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 70.11 111.092 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.94 -31.64 63.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.864 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.671 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -63.12 -41.67 99.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.149 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.465 HD23 HH21 ' A' ' 125' ' ' ARG . 2.3 tm? -71.36 -48.37 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.924 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -62.88 -42.38 99.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 51.42 110.824 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.46 -61.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 71.35 111.092 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.93 -32.53 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 43.44 110.876 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -80.56 -28.01 37.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.93 -10.18 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 61.55 110.836 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' A' ' 94' ' ' LEU . 3.3 m-30 -108.88 -43.36 4.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.948 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -49.56 112.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 65.51 110.925 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 106.73 4.5 36.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 70.11 112.475 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' B' ' 116' ' ' ALA . 51.6 t -86.26 112.33 45.19 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.676 0.75 . . . . 70.44 111.088 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 129.55 17.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.686 2.257 . . . . 74.22 112.365 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.558 HD23 ' CG ' ' A' ' 83' ' ' ASP . 6.8 tp -124.5 97.98 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.52 110.898 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 52.41 33.72 13.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.854 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 95.02 19.82 29.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 53.44 112.49 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -141.15 97.94 6.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 75.4 110.93 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 74.14 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.29 144.04 56.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 74.33 110.835 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -133.82 111.33 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 63.44 110.841 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.562 ' CG2' HD12 ' A' ' 77' ' ' LEU . 4.8 mp -105.73 137.42 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 70.41 111.084 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.49 115.78 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.85 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.684 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.3 tm? -75.57 114.42 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.93 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.56 ' N ' HD22 ' A' ' 149' ' ' LEU . 97.5 t -107.4 139.28 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 71.11 111.141 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -113.32 93.64 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.115 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.3 t -140.51 120.39 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 70.5 110.871 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -160.4 148.9 16.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 54.23 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 65.0 mt -96.35 -40.11 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.35 111.112 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -132.29 124.07 28.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 55.5 110.887 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 156' ' ' LEU . 4.2 pp -89.24 10.16 23.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.874 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -110.2 26.15 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.844 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -72.02 -37.02 69.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 64.05 110.909 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -88.66 78.03 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 63.34 110.902 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -52.07 -32.64 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.22 110.888 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -63.6 120.99 12.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.831 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -115.26 -32.59 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 61.4 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 24.2 p80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.855 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 CA-C-O 121.369 0.427 . . . . 52.13 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 176.06 7.29 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.732 2.288 . . . . 63.14 112.363 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tp -167.03 118.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.92 29.42 34.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.802 -0.713 . . . . 45.52 112.459 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -111.94 125.55 54.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 55.21 110.897 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 42.9 m -135.9 111.71 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.54 110.829 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 7.3 t -126.7 52.82 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 64.42 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -172.1 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.867 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 12.8 t -56.56 176.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.169 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 66.0 m -79.62 155.81 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.857 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.464 ' CH2' HG23 ' A' ' 86' ' ' VAL . 61.9 t90 -63.36 -22.08 66.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 75.2 110.962 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -81.94 -22.69 36.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 75.02 111.097 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.68 -57.16 5.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 54.12 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.46 -49.5 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.856 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.5 p -67.86 -36.45 75.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 71.44 111.14 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -58.35 -41.95 85.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.937 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -76.2 -41.94 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 55.5 110.945 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.8 73.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 71.34 111.113 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -80.8 -45.43 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 31.41 111.121 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.83 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 45.21 111.095 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -69.01 -25.96 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 71.54 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 -89.83 55.36 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 65.21 110.873 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.864 -179.877 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.6 mmm . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.765 0.317 . . . . 71.24 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.31 143.24 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 71.1 111.045 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 99.6 p -158.76 173.89 15.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 75.32 110.863 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.35 165.6 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.892 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -163.34 161.96 24.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 64.14 111.069 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.43 143.16 6.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 70.22 112.492 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.28 121.9 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 73.21 112.474 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -162.37 104.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 72.34 110.917 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -91.11 78.36 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.903 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 59.9 mtm -75.83 105.03 6.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.47 122.16 0.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.808 -0.711 . . . . 73.3 112.565 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -103.77 113.57 27.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 74.43 110.92 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.27 161.06 50.18 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 75.14 110.842 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -7.97 22.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.646 2.231 . . . . 42.25 112.282 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -94.07 18.87 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 71.54 110.891 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.29 23.07 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.894 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 37.8 m0 -67.0 176.8 1.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 73.01 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -74.38 178.28 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.943 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -119.05 26.83 9.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.855 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -77.04 -24.99 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 71.52 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -87.5 10.9 16.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 71.11 110.916 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -98.3 171.65 8.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.933 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -91.06 163.67 14.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 62.12 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -53.83 -48.5 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.896 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.19 72.04 1.29 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.692 -0.766 . . . . 72.11 112.52 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.5 t 52.74 48.76 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 74.22 110.877 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -147.99 123.82 1.78 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.739 . . . . 54.1 112.47 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.48 81.85 1.54 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 75.33 112.556 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.1 100.1 1.75 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 40.44 112.464 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.74 138.8 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 72.13 110.902 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.59 -88.42 1.93 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.796 -0.716 . . . . 71.11 112.451 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.743 HG12 HG22 ' A' ' 73' ' ' THR . 3.5 t -138.59 149.58 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 73.12 111.143 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -102.03 31.48 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.25 110.886 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.743 HG22 HG12 ' A' ' 71' ' ' VAL . 11.1 t -147.01 42.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 73.12 111.138 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.59 138.15 2.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 65.55 112.519 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.58 169.35 23.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 72.13 111.106 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -110.06 113.26 25.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 73.32 110.921 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.826 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.9 mm? -92.87 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 74.41 110.945 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 tp -120.69 110.72 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.939 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.0 t -90.54 144.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 54.21 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.474 ' CB ' HG22 ' A' ' 117' ' ' THR . 87.4 p -149.02 156.6 42.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.12 110.791 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 64.51 47.04 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 72.32 110.959 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.596 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -107.37 163.48 13.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 53.34 110.886 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.549 ' CG ' HD23 ' A' ' 140' ' ' LEU . 80.9 m-20 -54.2 176.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.837 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -96.11 6.4 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.78 -1.06 36.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 75.12 112.495 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.83 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 15.7 t -53.89 147.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 74.1 111.14 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.36 158.9 44.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 62.22 110.873 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -57.47 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 53.13 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.61 78.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 53.42 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -56.81 17.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.894 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.882 HD12 HG22 ' A' ' 120' ' ' VAL . 43.2 pt -66.18 -29.83 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.33 111.133 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.66 -60.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.923 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.24 -47.1 87.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.922 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.432 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.3 OUTLIER -50.6 -66.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.936 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.69 ' CB ' HD11 ' A' ' 101' ' ' LEU . 11.2 m-85 -59.26 -29.64 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.34 110.83 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.78 71.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 54.42 111.159 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.82 -32.18 60.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.878 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -67.17 -50.42 61.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.887 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.86 -103.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 74.43 112.486 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -130.81 146.93 52.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 75.41 111.18 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 95' ' ' PHE . 42.2 mt -125.93 142.56 51.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 72.02 110.95 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.46 -28.42 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.87 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.539 ' NZ ' ' HB2' ' A' ' 105' ' ' ALA . 16.9 tptp -163.39 155.45 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 72.03 110.937 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -154.81 115.65 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 62.02 111.134 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.539 ' HB2' ' NZ ' ' A' ' 103' ' ' LYS . . . -133.57 157.57 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 63.22 111.049 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.7 p -131.62 145.61 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.141 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.54 132.26 34.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 65.44 110.872 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -120.12 145.73 46.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 71.22 110.97 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -86.77 179.93 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 65.1 110.896 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -63.84 -25.72 68.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 72.31 110.901 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 t -77.43 -22.45 51.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 65.24 110.853 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.76 45.41 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.658 -0.782 . . . . 34.21 112.456 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.84 158.41 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 75.42 110.914 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.7 m -52.21 113.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 53.24 110.882 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.4 -30.12 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 70.32 110.938 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.39 -15.6 3.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.679 -0.772 . . . . 22.02 112.43 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.474 HG22 ' CB ' ' A' ' 80' ' ' SER . 69.4 p -139.88 141.4 36.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.8 0.333 . . . . 72.04 111.139 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.429 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -120.51 167.9 11.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 64.22 111.146 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -132.39 123.98 27.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 64.21 110.875 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.882 HG22 HD12 ' A' ' 91' ' ' ILE . 2.3 t -133.03 127.5 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 74.22 111.134 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 13.8 m-70 -95.75 118.58 32.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 72.25 110.825 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.611 ' CD1' HD23 ' A' ' 77' ' ' LEU . 6.0 m-85 -87.7 136.46 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.832 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -68.15 -15.6 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 74.15 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.05 145.12 35.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.856 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -31.85 61.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.879 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.19 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 74.45 111.024 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.21 -24.89 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 75.31 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.826 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -69.62 -50.27 46.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.03 111.076 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.5 tm? -67.24 -42.17 84.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 70.22 110.927 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -65.0 -44.8 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 75.05 110.899 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.98 -61.73 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 65.21 111.106 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -34.48 50.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 73.51 110.879 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -77.96 -27.8 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 73.51 110.943 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -10.77 45.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 70.34 110.947 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.52 -43.87 4.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.931 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -49.9 112.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.889 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.81 3.49 34.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 63.1 112.477 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.8 t -86.14 112.63 47.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.489 0.662 . . . . 73.43 111.13 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 129.68 18.03 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.65 2.234 . . . . 74.42 112.384 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 83' ' ' ASP . 7.9 tp -124.06 97.69 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 64.24 110.887 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 51.72 34.29 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 71.43 110.902 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 94.88 19.7 30.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 71.13 112.512 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.19 96.17 7.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.681 0.753 . . . . 74.41 110.876 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.676 2.251 . . . . 73.22 112.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mtp -65.14 145.98 55.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.878 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -134.99 110.1 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.912 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -107.45 134.97 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.12 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 115.69 23.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 51.22 110.876 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.763 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.4 tt -76.67 126.78 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.914 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.0 t -114.55 126.04 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 55.51 111.157 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -95.7 88.96 5.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 63.32 111.11 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 27.3 t -139.47 89.38 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.873 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.607 ' O ' HD13 ' A' ' 154' ' ' ILE . 3.3 mt-30 -162.94 160.81 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 75.05 110.946 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 153' ' ' GLN . 28.2 mm -129.7 -43.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 74.22 111.088 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -173.68 144.54 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.879 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.491 HD11 HG23 ' A' ' 73' ' ' THR . 1.4 mp -89.19 -8.05 54.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.32 110.855 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.9 26.67 3.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 65.22 110.863 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -84.74 60.53 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.844 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -158.42 111.43 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.82 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -55.64 123.84 15.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.863 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -141.78 162.16 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.847 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -83.6 151.23 25.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.837 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 69.5 t60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.866 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 121.404 0.447 . . . . 73.22 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 176.98 6.08 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.637 2.225 . . . . 60.24 112.322 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.583 ' H ' HD23 ' B' ' 100' ' ' LEU . 2.2 pt? -124.46 160.01 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 53.23 110.908 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -105.87 -116.28 4.16 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.796 -0.716 . . . . 62.12 112.494 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 11.2 t -73.08 135.0 44.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 41.45 110.826 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -87.37 123.06 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.789 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 22.4 m -97.71 178.08 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 72.41 110.921 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -19.59 43.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.4 t -160.5 174.52 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 74.52 111.095 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 72.1 m -70.54 152.54 43.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.912 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.83 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 56.8 t90 -60.03 -25.08 65.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.1 110.905 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.26 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 72.04 111.103 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.96 -56.97 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.805 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -49.49 -49.58 45.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.889 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.425 HG11 HD13 ' A' ' 94' ' ' LEU . 6.2 p -67.77 -36.92 77.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 52.44 111.122 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -58.22 -41.61 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.834 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -76.49 -41.75 45.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 63.34 110.891 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.64 -42.49 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 64.43 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.73 -46.06 16.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.164 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.96 -38.81 57.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.32 111.158 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -59.01 -34.82 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.881 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 63.0 mtt-85 -84.34 62.1 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 63.44 110.882 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.85 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 52.55 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.97 168.3 18.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 52.13 111.163 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -108.24 -47.8 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 45.13 110.904 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.9 mmm -53.11 135.96 36.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 62.03 110.894 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.5 t -120.15 148.78 43.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.42 111.092 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.01 168.69 2.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 63.44 112.455 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.48 59.04 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.768 -0.73 . . . . 34.25 112.462 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -119.77 72.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.707 0.289 . . . . 63.2 110.927 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -121.1 159.93 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.858 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.17 167.21 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 72.21 110.903 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.42 -134.54 1.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.725 . . . . 63.44 112.499 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -81.09 174.09 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.296 . . . . 70.51 110.933 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.65 160.55 1.36 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.646 0.736 . . . . 71.54 110.805 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -16.75 38.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.71 2.273 . . . . 70.11 112.395 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -94.33 18.95 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 55.31 110.825 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -128.94 35.85 4.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 62.34 110.922 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -54.89 159.84 2.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.259 -0.428 . . . . 74.23 110.937 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -100.81 41.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -106.04 26.82 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 64.12 110.857 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -86.64 -23.88 25.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 61.45 110.866 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.34 16.18 10.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.926 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -53.9 168.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.9 t0 60.25 50.42 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 64.21 110.898 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 p -103.68 53.68 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 71.45 110.867 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' CYS . . . -102.19 85.62 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 61.11 112.537 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' GLY . 26.7 p 32.72 50.21 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 72.1 110.89 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 86.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.686 -0.768 . . . . 44.21 112.416 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.35 -78.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 75.35 112.468 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.42 75.06 0.12 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 32.42 112.436 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 151' ' ' ALA . 2.6 mp0 -91.11 126.68 36.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 74.31 110.807 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.03 61.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 42.54 112.508 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.595 HG12 HG22 ' A' ' 73' ' ' THR . 14.5 t -119.65 106.41 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 74.2 111.175 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.18 50.18 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.595 HG22 HG12 ' A' ' 71' ' ' VAL . 8.8 t -160.77 25.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.115 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.57 155.76 6.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 43.45 112.416 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.56 169.89 18.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 71.2 111.091 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -110.33 114.05 27.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.852 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.791 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm? -94.51 140.6 29.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.934 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 tp -120.79 110.82 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 63.02 110.964 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -90.55 143.64 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.13 111.157 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.497 ' HA ' HG22 ' A' ' 117' ' ' THR . 21.6 m -145.75 154.99 42.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.812 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 t30 65.21 44.78 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 72.1 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.604 HD13 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -107.49 156.75 18.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.909 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.499 ' O ' HG12 ' A' ' 86' ' ' VAL . 5.8 t70 -57.76 175.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 62.45 110.843 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.16 -26.99 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.03 110.894 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.75 -19.76 65.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 52.53 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.604 HG11 HD13 ' A' ' 82' ' ' LEU . 7.4 p -51.24 145.6 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 71.43 111.137 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -149.98 167.09 27.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.15 110.833 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -60.06 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 62.35 110.916 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.99 77.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 73.51 111.07 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -58.98 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 55.35 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.034 HD12 HG22 ' A' ' 120' ' ' VAL . 46.9 pt -62.37 -29.0 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 50.11 111.179 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -60.68 3.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 71.11 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.35 -47.29 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -51.58 -65.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 52.33 110.916 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.726 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.3 m-85 -58.83 -27.95 65.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.932 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.65 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 72.42 111.129 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -53.53 -30.39 41.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 61.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -69.02 -51.77 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 61.4 110.89 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.21 -109.39 0.27 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.728 -0.749 . . . . 72.12 112.49 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.2 m -132.05 132.4 43.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 72.22 111.092 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 95' ' ' PHE . 51.6 mt -111.77 152.39 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.926 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -107.96 -32.4 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 72.11 110.9 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 6.1 tptt -152.37 148.12 27.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.885 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.571 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -155.99 120.77 4.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 73.24 111.12 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.75 45.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 70.3 111.028 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.59 140.7 44.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 70.44 111.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.0 135.16 36.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 64.55 110.806 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -125.66 148.25 49.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.941 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -80.58 173.28 12.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 64.43 110.883 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -56.77 -28.76 61.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 74.3 110.931 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -81.68 -22.29 37.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 71.23 110.928 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.15 47.29 1.6 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.734 -0.746 . . . . 74.2 112.444 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -137.16 147.18 45.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 72.34 110.882 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 m -51.88 109.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 63.3 110.904 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.2 mt -55.18 -26.71 40.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 74.04 110.893 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 -6.12 7.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 64.23 112.464 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 80' ' ' SER . 43.0 p -140.05 142.02 36.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 30.43 111.191 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -121.97 164.15 18.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 42.25 111.127 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -130.02 121.51 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 62.04 110.808 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 1.034 HG22 HD12 ' A' ' 91' ' ' ILE . 2.6 t -130.99 125.22 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.145 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 10.1 m-70 -94.94 113.98 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.856 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.597 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.5 m-85 -82.6 149.1 27.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.92 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -78.01 -15.59 58.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 61.51 110.971 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 147.42 39.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 74.52 110.898 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -74.67 -35.19 62.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 72.31 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.65 -63.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 53.12 111.173 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -53.45 -28.39 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.838 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.791 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.96 -44.03 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 70.31 111.086 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.1 tm? -68.4 -45.64 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.22 110.931 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -64.7 -45.54 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.935 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.96 -61.64 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 34.43 111.101 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -33.67 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 74.2 110.821 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -78.19 -27.34 47.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.892 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.84 -10.87 43.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 72.24 110.948 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -108.04 -44.15 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.915 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -49.99 112.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 75.01 110.894 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.28 3.63 35.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 63.31 112.518 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 135' ' ' TYR . 54.3 t -86.31 112.48 46.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 72.3 111.03 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.19 20.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 44.13 112.386 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.532 HD13 HG22 ' B' ' 112' ' ' VAL . 9.4 tp -127.18 97.73 5.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 71.55 110.91 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.8 t70 51.5 36.52 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.854 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.52 20.23 38.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.34 112.535 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 4.6 mmp_? -141.11 94.84 7.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 71.52 110.894 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 143' ' ' ARG . 53.8 Cg_endo -69.66 116.34 4.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.26 . . . . 72.31 112.389 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.12 145.17 56.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 75.32 110.878 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -135.45 111.55 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.41 110.87 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 77' ' ' LEU . 4.8 mp -105.83 142.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 75.15 111.138 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.85 118.46 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.944 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.694 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.1 tm? -79.98 116.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 64.22 110.932 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.612 ' N ' HD22 ' A' ' 149' ' ' LEU . 45.8 t -106.79 126.57 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 65.45 111.109 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 69' ' ' GLU . . . -96.97 96.19 8.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 19.2 m -117.37 163.37 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 34.32 110.825 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -112.86 133.72 54.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 62.44 110.902 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 44.1 mm -108.01 -24.94 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 61.52 111.121 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -126.44 63.13 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.22 110.87 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.1 pp -86.54 -26.37 24.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.929 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.26 -31.96 34.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.84 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -131.74 97.77 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.849 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -88.86 140.7 29.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 73.34 110.865 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -105.92 98.69 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 71.24 110.829 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -112.4 58.18 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 70.34 110.853 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 59.98 45.76 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 71.23 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 53.0 t60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.866 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 121.449 0.472 . . . . 71.44 112.527 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -173.17 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.626 2.217 . . . . 73.32 112.326 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.57 -60.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.01 -103.53 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 71.03 112.47 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 4.3 t 59.31 50.24 8.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 71.42 110.872 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 76.1 p -126.26 37.53 4.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 54.55 110.849 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 26.7 m -123.0 -173.6 2.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 65.11 110.853 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -19.14 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 61.14 110.894 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.5 t -161.53 175.58 11.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 55.15 111.228 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 43.3 t -69.98 165.42 21.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 63.52 110.921 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.593 ' O ' HG23 ' B' ' 112' ' ' VAL . 66.8 t90 -68.8 -25.89 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.879 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -76.68 -33.35 58.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.411 . . . . 34.44 111.077 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.39 -54.66 25.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.51 110.818 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -51.39 -39.1 56.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.904 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 108' ' ' TRP . 62.3 t -69.67 -46.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.112 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.591 ' HG3' HD12 ' A' ' 94' ' ' LEU . 58.6 mtm180 -58.17 -34.81 70.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 65.35 110.964 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -76.4 -47.27 23.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.936 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.42 -39.21 72.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 71.1 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.426 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -79.63 -45.05 19.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 42.33 111.123 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.58 -49.25 62.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 64.54 111.092 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -61.3 -28.31 69.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 71.42 110.9 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . 0.442 ' HD3' HG22 ' A' ' 138' ' ' VAL . 30.4 mtp85 -79.0 61.17 3.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.885 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 63.42 110.881 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.796 0.332 . . . . 75.32 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.41 -74.66 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 74.14 111.057 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.0 m 63.16 38.37 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 54.42 110.869 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.404 ' O ' HG23 ' A' ' 44' ' ' THR . 0.1 OUTLIER -77.98 148.56 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.2 110.906 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 43' ' ' MET . 5.6 p -154.99 178.64 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 63.51 111.135 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.59 -179.11 35.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 74.01 112.522 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.97 -169.89 33.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.68 -0.771 . . . . 63.1 112.466 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -167.52 123.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 74.32 110.917 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -148.38 -179.46 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.928 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.03 161.67 33.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 65.33 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.6 130.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.664 -0.779 . . . . 72.14 112.45 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -99.92 134.07 43.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 64.22 110.905 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.41 160.5 42.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 62.25 110.838 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.7 24.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 63.12 112.412 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -94.13 18.94 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 71.51 110.873 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -120.06 40.35 3.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -65.94 -179.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 64.42 110.926 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -109.41 26.42 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 65.24 110.888 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -134.24 25.25 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.895 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.99 -8.92 50.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 71.13 110.874 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 60' ' ' LEU . 10.3 mt -85.7 8.63 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.943 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -112.09 143.08 43.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.862 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -139.27 25.28 2.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 72.22 110.879 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t 51.68 38.18 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 63.05 110.89 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 179.26 -83.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.794 -0.717 . . . . 60.33 112.515 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.0 t 63.29 61.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 43.42 110.898 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.93 148.39 4.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.76 . . . . 64.33 112.449 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.18 150.55 7.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.449 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.77 -94.92 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 72.43 112.484 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -53.62 127.1 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 72.31 110.898 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.9 102.17 2.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 61.33 112.511 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 72' ' ' GLU . 13.6 t -139.84 156.8 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 70.02 111.129 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' N ' HG12 ' A' ' 71' ' ' VAL . 13.8 mp0 -89.86 16.66 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.893 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' GLU . 3.4 t 36.48 59.29 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 71.13 111.211 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.71 162.55 11.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 72.51 112.489 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.63 7.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 52.5 111.054 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -111.47 113.61 26.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 64.2 110.912 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.797 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.8 mm? -96.99 122.05 39.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 63.42 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.92 116.72 33.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.44 110.867 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.439 ' CG1' HD23 ' A' ' 82' ' ' LEU . 44.7 t -95.63 137.15 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 53.21 111.159 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.707 ' HA ' HG22 ' A' ' 117' ' ' THR . 93.7 p -140.9 155.93 46.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 65.21 110.837 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t30 64.12 49.44 2.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 71.12 110.839 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.713 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -110.38 159.56 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.933 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -52.03 171.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.855 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -90.36 7.33 39.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.941 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.63 -14.27 22.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.655 -0.783 . . . . 61.4 112.502 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 82' ' ' LEU . 8.3 p -49.72 147.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 74.15 111.153 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 m -149.67 164.62 34.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 63.32 110.824 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -59.23 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 61.21 110.873 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.96 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.52 111.074 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -60.49 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 61.23 110.857 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.7 pt -61.43 -32.31 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.04 111.088 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.453 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -57.69 -60.99 2.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.52 110.867 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.66 -47.82 83.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.832 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.521 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.68 -65.23 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 65.43 110.924 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.718 ' HB2' HD11 ' A' ' 101' ' ' LEU . 29.4 m-85 -59.4 -28.07 66.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 64.13 110.9 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -64.13 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.193 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -30.55 43.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.928 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -67.34 -52.4 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 72.05 110.838 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.48 -108.86 0.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.834 -0.698 . . . . 65.21 112.519 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 m -133.21 124.4 27.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 54.12 111.115 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 95' ' ' PHE . 52.6 mt -99.89 158.29 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.949 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -113.01 -36.23 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.858 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 143.5 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.932 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.453 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -149.71 121.39 8.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 70.1 111.112 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.14 44.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 72.3 111.123 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.8 p -125.26 151.61 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 75.21 111.119 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.536 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -91.25 124.07 35.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.858 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.03 147.55 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 71.41 110.953 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.406 ' OD2' HD23 ' A' ' 115' ' ' LEU . 2.1 m-20 -72.05 -174.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 64.25 110.835 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -70.5 -19.21 62.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 62.23 110.852 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.9 m -91.1 -22.57 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 75.13 110.926 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 104.1 48.75 1.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.69 -0.766 . . . . 65.31 112.485 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ptt-85 -138.66 151.11 46.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 73.11 110.893 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 m -50.79 122.91 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 54.33 110.893 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 107' ' ' ASP . 8.0 mt -72.09 -19.98 61.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 53.02 110.935 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.2 -13.52 8.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 52.32 112.553 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 80' ' ' SER . 81.5 p -139.68 141.82 36.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 53.35 111.072 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -115.46 169.25 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.147 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.08 107.91 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.826 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.655 HG11 ' CD2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -126.34 127.1 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 54.55 111.146 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -95.54 122.87 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.865 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.572 ' CD1' HD23 ' A' ' 77' ' ' LEU . 4.8 m-85 -81.61 149.7 28.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.908 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -75.62 -18.51 59.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.919 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.22 144.05 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.846 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -33.51 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.2 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.19 -64.22 0.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 61.25 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.49 -26.2 66.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 70.43 110.837 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.797 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.88 -49.11 63.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 73.54 111.08 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 129' ' ' LEU . 2.5 tm? -67.47 -42.06 83.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 71.33 110.924 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -65.78 -47.33 75.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.43 110.882 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.92 -61.1 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 72.13 111.082 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -77.42 -26.85 52.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.894 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.34 -12.71 39.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 72.51 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.7 m-30 -105.92 -44.02 4.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.902 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -50.0 111.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 64.43 110.861 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.44 7.31 32.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 64.13 112.521 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 135' ' ' TYR . 55.9 t -89.69 110.95 43.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 64.11 111.121 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.05 18.67 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.635 2.223 . . . . 72.2 112.337 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.461 HD13 HG22 ' B' ' 112' ' ' VAL . 6.9 tp -127.01 98.12 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.948 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.45 35.1 19.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 65.42 110.924 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.31 21.55 34.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 75.33 112.476 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.14 92.54 8.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.516 0.674 . . . . 73.22 110.793 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.91 4.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 44.21 112.345 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.418 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.9 mtp -66.32 145.23 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.02 110.927 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -133.96 109.16 8.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 71.23 110.924 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.418 HD11 ' HE3' ' A' ' 145' ' ' MET . 5.2 mp -106.03 135.2 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 75.5 111.133 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.85 115.6 22.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.966 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.734 ' HA ' HD13 ' A' ' 77' ' ' LEU . 9.1 tt -72.41 126.89 30.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 61.01 110.892 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 94.8 t -115.38 124.11 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.12 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -98.06 100.36 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 70.52 111.022 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.0 t -138.72 77.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 75.31 110.861 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -131.14 146.38 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 65.42 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 79.1 mt -110.6 -31.82 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.23 111.137 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 34.9 t70 58.08 49.42 11.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.9 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 156' ' ' LEU . 0.8 OUTLIER -89.01 -25.55 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 70.34 110.886 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -63.51 -27.38 69.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.977 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -121.61 87.11 2.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.853 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -60.21 161.18 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.04 110.844 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -102.36 59.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.868 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -158.6 135.21 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.805 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -64.14 143.53 57.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 74.5 110.832 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 70.51 110.919 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 121.437 0.465 . . . . 42.32 112.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 90.03 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.641 2.227 . . . . 72.04 112.381 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 35.3 mt -52.23 -30.46 27.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 63.21 110.904 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -134.47 93.02 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 71.42 112.404 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 12.9 t -86.57 81.33 8.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 73.15 110.914 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 11.3 m -62.15 107.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 63.31 110.858 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 81.5 m -145.54 162.87 36.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 55.41 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -17.57 58.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 71.04 110.879 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.9 t -170.25 169.5 7.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.281 -0.418 . . . . 73.32 111.166 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 5.7 m -68.24 148.14 51.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 71.33 110.85 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.662 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 49.0 t90 -55.04 -30.8 60.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 74.24 110.929 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -65.58 -23.02 66.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 63.52 111.123 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -68.36 -48.55 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 64.51 110.845 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -51.85 -49.71 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.927 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.461 HG22 HD13 ' A' ' 140' ' ' LEU . 13.8 t -65.11 -50.25 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 61.05 111.173 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -51.65 -42.64 62.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 71.1 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -70.65 -51.3 28.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 51.23 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.62 -39.46 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.33 111.138 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.21 -30.86 27.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 54.1 111.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.89 -46.87 82.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.14 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -57.3 -28.52 63.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 61.51 110.878 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.35 26.2 10.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.902 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 73.44 110.823 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.6 mmt . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.788 0.328 . . . . 74.13 110.938 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.96 148.69 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 63.12 111.061 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 t -169.21 162.79 10.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.896 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -129.22 151.98 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.55 110.897 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -159.07 145.81 17.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.211 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.65 153.46 7.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.803 -0.713 . . . . 43.11 112.525 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.45 105.59 1.76 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 64.01 112.511 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -98.81 81.24 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 75.03 110.899 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -92.05 156.33 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 61.11 110.881 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.9 mmt -106.6 168.18 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 72.14 110.92 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.42 141.6 3.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.814 -0.708 . . . . 53.32 112.543 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -110.02 125.27 52.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 72.12 110.872 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.51 158.53 1.45 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.52 0.676 . . . . 74.44 110.91 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -18.1 36.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.665 2.243 . . . . 52.24 112.324 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.81 -25.84 60.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 51.54 110.904 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -52.16 -30.6 27.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.953 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -58.37 177.2 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 74.25 110.922 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -141.98 160.5 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 71.44 110.857 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -124.4 36.99 4.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 61.05 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.19 -24.94 27.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.888 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.55 16.04 9.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.852 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -64.91 159.47 22.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 74.02 110.875 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -138.3 172.08 13.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 63.32 110.854 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 t -172.12 90.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 45.3 110.863 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -148.67 121.94 1.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 73.44 112.486 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.6 p -170.77 175.49 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 55.12 110.866 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.53 164.11 14.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 74.33 112.488 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.51 -152.36 7.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.793 -0.717 . . . . 62.1 112.502 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.52 34.32 2.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 62.01 112.478 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -154.22 118.62 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.39 . . . . 74.44 110.88 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -119.06 -102.22 2.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.664 -0.779 . . . . 55.42 112.422 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.522 HG12 ' H ' ' A' ' 73' ' ' THR . 4.1 t -138.67 140.24 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.81 0.338 . . . . 71.53 111.072 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.42 -16.27 60.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 61.33 110.936 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.522 ' H ' HG12 ' A' ' 71' ' ' VAL . 4.6 t -115.81 59.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 71.45 111.188 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.88 142.2 3.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.815 -0.707 . . . . 61.25 112.473 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.37 171.66 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 63.34 111.124 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -111.77 113.6 26.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 72.51 110.912 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 149' ' ' LEU . 3.9 mm? -95.23 138.74 32.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 72.23 110.859 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 tp -118.8 112.71 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.6 t -91.41 142.37 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 73.45 111.058 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.404 ' HA ' HG22 ' A' ' 117' ' ' THR . 83.2 p -146.0 156.72 43.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 73.55 110.866 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t30 64.11 46.41 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 61.03 110.917 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.679 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -108.12 159.77 16.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 70.3 110.92 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.23 177.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.883 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -92.71 -10.87 35.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.41 110.845 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.1 -16.51 67.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 61.24 112.493 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.679 HG11 HD13 ' A' ' 82' ' ' LEU . 11.5 p -50.36 145.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 72.25 111.11 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 m -149.57 166.17 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 55.01 110.778 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -60.6 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 72.4 110.833 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.75 75.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.2 111.12 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.57 -60.77 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.41 110.857 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.024 HD12 HG22 ' A' ' 120' ' ' VAL . 43.9 pt -61.25 -29.05 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 43.42 111.135 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -60.89 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 70.22 110.937 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -61.42 -46.96 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 54.52 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.27 -66.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 70.34 110.893 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.8 m-85 -59.13 -28.02 66.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.849 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.35 71.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 71.42 111.074 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -53.21 -30.96 40.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 71.3 110.854 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -69.44 -48.67 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 62.34 110.879 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.66 -118.72 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 71.14 112.488 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -127.8 115.4 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 74.15 111.154 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 78.6 mt -89.39 157.49 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 64.03 110.914 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.65 -34.05 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -153.31 147.63 25.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.844 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.582 ' CB ' HG13 ' A' ' 120' ' ' VAL . . . -155.87 124.0 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 34.34 111.081 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.49 151.99 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.079 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.64 152.18 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.35 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.21 127.61 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.808 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -117.12 150.51 38.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 62.44 110.931 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -93.86 -173.04 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.884 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -64.92 -29.91 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 64.44 110.834 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.4 m -72.85 -22.38 60.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.865 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.47 40.03 4.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.787 -0.72 . . . . 64.14 112.452 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.39 159.43 42.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 75.12 110.882 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -52.66 114.7 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.926 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mt -55.69 -27.63 51.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 71.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.73 -15.96 4.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 72.51 112.483 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 80' ' ' SER . 45.2 p -137.12 141.85 42.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 44.42 111.124 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.26 164.4 16.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 54.34 111.096 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -128.77 122.3 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 60.44 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 1.024 HG22 HD12 ' A' ' 91' ' ' ILE . 2.4 t -131.5 123.49 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.14 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 103' ' ' LYS . 11.3 m-70 -94.91 114.56 26.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.14 110.787 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.632 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.1 m-85 -82.17 150.05 27.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.827 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -83.53 -12.58 56.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 75.33 110.881 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.11 145.15 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.53 110.868 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.535 ' CD ' HD21 ' A' ' 149' ' ' LEU . 18.9 tpp85 -74.96 -43.78 52.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 72.45 110.894 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.39 -62.77 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.51 111.087 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.41 -29.46 70.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 44.23 110.837 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.677 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -63.56 -51.72 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.25 111.109 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.0 tm? -68.59 -39.85 80.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 64.03 110.914 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.49 -47.06 77.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.877 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.2 -60.45 3.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.52 111.121 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -34.74 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 41.33 110.878 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -78.02 -27.48 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.86 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -88.96 -11.0 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 52.42 110.94 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.8 m-30 -107.63 -43.87 4.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 61.43 110.91 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.85 112.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 75.31 110.864 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.11 0.92 29.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 70.41 112.521 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 135' ' ' TYR . 70.7 t -84.02 112.84 43.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 65.41 111.151 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 131.87 22.04 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 73.22 112.372 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 tp -128.72 97.86 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.7 t70 51.85 36.92 19.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.45 110.848 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 90.63 20.17 41.64 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 75.23 112.517 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -141.02 94.34 7.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.711 . . . . 74.22 110.939 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.07 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.801 2.334 . . . . 73.33 112.357 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.2 mtp -63.07 144.51 56.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 61.13 110.884 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.25 109.03 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 72.42 110.966 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 5.1 mp -105.8 135.28 44.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 75.14 111.127 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.56 115.49 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 65.33 110.999 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.732 ' HA ' HD13 ' A' ' 77' ' ' LEU . 15.3 tp -76.41 126.83 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 60.12 110.888 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 81.8 t -117.35 136.24 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 62.15 111.107 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.13 86.69 7.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.049 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 19.0 t -176.7 153.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.4 110.863 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -161.56 173.06 15.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 73.44 110.911 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 38.3 mm -88.51 -25.58 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.31 111.15 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -118.28 90.04 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.879 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 156' ' ' LEU . 4.2 pp -89.25 10.02 23.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 60.25 110.83 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.96 29.3 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -61.87 150.42 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 60.54 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -140.34 129.58 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -136.27 153.41 51.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 73.13 110.807 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -126.19 174.92 8.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.845 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -149.22 167.87 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 65.13 110.858 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.8 p80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.817 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 121.474 0.486 . . . . 72.22 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.93 40.19 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.646 2.231 . . . . 45.03 112.356 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.95 109.2 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.877 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 176.04 -31.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 64.03 112.496 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 68.0 m -99.51 -29.39 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.848 0.356 . . . . 74.32 110.851 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 24.8 p -170.3 154.35 4.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 75.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 23.3 t -84.5 -35.11 23.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.867 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.34 -171.18 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 65.42 110.875 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.0 t -56.59 176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 43.35 111.13 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -70.6 149.04 47.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.928 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.592 ' O ' HG23 ' B' ' 112' ' ' VAL . 68.3 t90 -56.19 -28.99 60.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.918 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -74.42 -28.97 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.13 111.037 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.98 -57.03 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.876 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -51.54 -41.48 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 108' ' ' TRP . 61.9 t -64.45 -50.55 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.45 111.093 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -55.7 -38.24 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.861 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.66 -43.1 69.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.13 91.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.24 111.038 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.99 -41.31 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.13 111.094 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.37 -10.78 60.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 63.24 111.056 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -94.48 20.07 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 73.22 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . 0.467 HH11 HG22 ' A' ' 138' ' ' VAL . 31.3 mmm-85 -105.9 16.62 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.815 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.882 -179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.873 0.368 . . . . 72.04 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.59 127.05 55.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.35 111.1 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.5 p -160.92 123.66 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 73.32 110.89 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.5 tpp -169.48 132.49 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.897 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -118.83 146.53 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 51.41 111.194 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.59 142.6 7.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 72.13 112.448 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 134.15 110.16 1.13 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 74.24 112.522 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -164.82 109.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.704 0.288 . . . . 52.42 110.898 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -94.92 128.87 42.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -141.97 155.85 45.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 45.32 110.828 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.56 140.35 3.04 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.692 -0.766 . . . . 40.32 112.504 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -139.96 123.3 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 43.4 110.879 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.14 160.6 77.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.532 0.682 . . . . 53.24 110.886 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -16.34 37.27 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.64 2.227 . . . . 61.11 112.353 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.34 -29.87 25.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.784 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -52.01 -30.13 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.865 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -68.95 140.42 55.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 53.14 110.959 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -130.85 172.09 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 62.33 110.87 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -104.9 32.51 4.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 75.02 110.877 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -82.72 -25.93 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.854 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.86 9.52 18.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.96 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -77.79 156.98 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 75.3 110.855 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -146.74 169.04 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 71.31 110.878 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 t -177.59 97.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 72.44 110.827 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.74 116.96 0.77 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 44.03 112.566 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.7 t -118.62 144.16 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 65.32 110.875 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.11 173.15 24.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 73.31 112.477 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.48 178.66 48.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 54.21 112.472 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.09 54.95 5.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 54.15 112.458 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -126.35 139.91 52.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 74.31 110.919 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -152.85 -76.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 53.13 112.442 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.861 HG12 HG22 ' A' ' 73' ' ' THR . 2.5 t -130.37 134.81 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 73.25 111.133 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.77 38.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.893 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.861 HG22 HG12 ' A' ' 71' ' ' VAL . 15.1 t -148.34 36.16 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.506 . . . . 74.34 111.133 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 146.04 141.25 3.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 32.21 112.491 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.53 159.84 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 75.55 111.088 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -99.26 112.59 24.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.954 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.649 ' CD1' ' HB1' ' A' ' 128' ' ' ALA . 4.2 mp -92.37 133.66 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.936 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -109.86 117.98 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.975 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.24 143.86 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 63.22 111.177 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.423 ' HA ' HG22 ' A' ' 117' ' ' THR . 86.2 p -146.44 156.93 43.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 65.22 110.873 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.05 48.1 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.35 110.883 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.598 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -108.85 162.74 13.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.94 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.26 176.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.841 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -95.98 7.31 46.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 65.31 110.924 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.23 -4.29 38.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 61.45 112.481 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.838 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 14.2 t -51.6 147.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 73.42 111.119 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.64 160.3 43.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 60.34 110.886 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.12 -56.58 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.65 77.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 74.11 111.102 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -55.06 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 70.2 110.85 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.872 HD12 HG22 ' A' ' 120' ' ' VAL . 35.9 pt -66.73 -30.62 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 72.12 111.166 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 -60.68 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.12 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.81 -47.7 85.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 71.34 110.847 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 135' ' ' TYR . 0.3 OUTLIER -51.47 -66.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 64.33 110.927 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.719 ' CB ' HD11 ' A' ' 101' ' ' LEU . 12.3 m-85 -58.1 -29.17 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.846 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.49 70.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.066 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.49 -30.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 63.14 110.864 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -70.73 -50.77 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.815 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.17 -114.44 0.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 44.23 112.5 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.3 m -126.36 130.1 50.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 54.32 111.094 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD11 ' CB ' ' A' ' 95' ' ' PHE . 44.5 mt -106.16 153.76 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.881 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.37 -26.01 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.86 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.57 161.42 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 73.33 110.963 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -156.31 132.19 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 64.23 111.051 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -143.94 155.21 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 54.42 111.125 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 118' ' ' ALA . 8.2 p -132.65 147.51 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 71.42 111.117 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.54 126.45 36.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.913 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -116.45 144.75 43.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 64.45 110.926 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -89.42 -178.19 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 71.03 110.871 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.76 68.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 51.12 110.866 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -74.2 -22.36 59.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 43.44 110.828 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.78 28.62 8.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 61.32 112.488 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -132.29 158.91 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 74.22 110.854 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -52.63 118.38 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 71.52 110.82 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mt -54.51 -30.66 54.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.96 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 140.02 -15.52 3.04 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.763 -0.732 . . . . 73.15 112.574 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 80' ' ' SER . 38.0 p -142.1 141.42 32.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.81 0.338 . . . . 74.13 111.135 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.593 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -122.83 169.61 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 64.34 111.099 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -133.96 122.85 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.847 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.872 HG22 HD12 ' A' ' 91' ' ' ILE . 2.5 t -123.79 140.95 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.08 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -102.96 113.57 27.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 65.14 110.799 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -89.39 137.13 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.906 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -73.34 -15.68 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 64.32 110.863 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.35 142.72 33.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.827 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -32.62 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 72.43 110.913 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.71 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.33 111.121 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.53 -34.45 50.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.649 ' HB1' ' CD1' ' A' ' 77' ' ' LEU . . . -71.22 -40.2 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.067 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -62.63 -49.24 75.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.954 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.81 -38.23 79.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.879 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.85 -56.01 14.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 64.0 111.087 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -34.05 75.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 44.34 110.894 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -76.12 -28.55 57.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.891 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -16.89 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 71.51 110.976 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.496 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.4 m-30 -99.16 -43.64 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.878 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.74 112.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 72.34 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.44 1.18 31.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 44.41 112.528 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 135' ' ' TYR . 59.5 t -83.94 112.67 42.36 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 74.32 111.087 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 130.95 20.22 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 74.11 112.278 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -127.36 97.85 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.41 110.87 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.9 t70 53.06 35.29 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.896 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 92.01 20.09 37.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.812 -0.708 . . . . 60.41 112.502 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -141.16 95.56 7.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.652 0.739 . . . . 75.4 110.875 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.08 4.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 75.41 112.36 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.9 mtp -63.96 146.92 53.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.903 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -135.92 110.38 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.85 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.413 HD13 ' HB3' ' A' ' 135' ' ' TYR . 5.2 mp -109.32 139.73 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 72.15 111.117 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.43 115.69 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.611 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -68.25 136.45 53.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 70.45 110.902 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 20.4 t -121.62 123.48 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 64.31 111.146 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -94.15 86.04 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 62.42 111.159 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.1 m -151.91 139.57 19.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 63.11 110.936 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -125.79 177.75 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 50.23 110.942 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 34.9 mm -121.11 -33.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.139 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -64.33 94.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.82 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 156' ' ' LEU . 4.0 pp -89.25 10.11 23.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 64.12 110.91 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -96.78 26.77 4.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 63.22 110.883 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -66.89 165.49 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.829 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 53.3 t60 60.89 45.94 9.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.865 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -87.18 175.0 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.835 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -123.92 151.75 43.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.842 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -164.81 140.72 5.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.882 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.841 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 CA-C-O 121.387 0.437 . . . . 75.5 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 134.82 28.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.7 2.267 . . . . 65.51 112.325 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 23.0 tp -107.38 -45.03 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.952 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.98 -65.34 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.757 . . . . 51.44 112.473 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.14 40.89 8.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 73.15 110.833 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.3 m -106.5 26.95 9.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 75.44 110.841 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 53.9 m -147.54 160.06 43.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.858 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -75.94 -19.6 58.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.6 t -162.32 175.68 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 55.44 111.181 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 72.6 m -72.78 159.46 33.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 75.03 110.853 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.838 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 58.3 t90 -65.55 -24.2 67.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.477 . . . . 73.24 110.957 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.61 -22.76 46.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 65.04 111.132 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -56.62 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.863 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -49.64 -49.53 46.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 94' ' ' LEU . 6.3 p -68.1 -36.2 74.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.25 111.107 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -59.11 -40.75 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 60.41 110.835 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.43 -41.56 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.19 -39.93 76.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 54.41 111.121 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -82.64 -45.63 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 64.31 111.12 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.54 -54.91 22.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 65.22 111.045 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -60.4 -26.24 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.869 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -87.89 64.6 7.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 54.11 110.834 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.883 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.755 0.312 . . . . 72.32 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 93.66 9.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 52.1 111.026 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -131.05 126.35 35.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.847 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.3 tpt -165.43 116.36 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 53.43 110.827 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.63 143.74 26.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 71.01 111.146 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.21 110.99 0.29 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.74 -0.743 . . . . 65.34 112.502 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.4 -114.9 1.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 43.24 112.554 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -118.98 53.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 73.22 110.956 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -59.75 165.59 3.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 63.13 110.95 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 ttp 57.31 33.56 23.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 65.21 110.915 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.11 146.14 10.71 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.742 -0.742 . . . . 70.21 112.465 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 120.91 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 71.24 110.898 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.21 160.42 40.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.553 0.692 . . . . 62.01 110.886 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -14.89 36.81 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.711 2.274 . . . . 73.42 112.343 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -55.87 -25.47 42.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -93.89 40.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -97.67 163.99 12.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.54 110.907 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -125.51 75.84 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 54.3 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -113.07 71.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.835 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 65.15 110.909 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.26 -18.58 48.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.12 110.944 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -133.43 175.08 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.923 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -141.66 132.4 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.838 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 p 52.09 31.56 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 60.05 110.835 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.81 -84.52 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.714 -0.755 . . . . 72.41 112.444 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.8 t -68.33 159.11 32.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 54.42 110.876 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.11 111.86 1.2 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 74.13 112.514 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.98 110.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 63.03 112.449 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.2 -60.87 0.4 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 74.03 112.489 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -109.78 118.44 36.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.378 . . . . 74.02 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.528 ' HA2' ' HB1' ' A' ' 151' ' ' ALA . . . 114.38 99.49 2.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 61.11 112.51 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 73' ' ' THR . 9.2 p -127.74 157.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 61.23 111.114 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' N ' HG22 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -83.66 6.0 22.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.948 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.512 HG22 HG22 ' A' ' 71' ' ' VAL . 4.2 t -134.95 62.26 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.42 111.125 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 131.38 137.44 4.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 42.1 112.519 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.65 163.47 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 75.31 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -97.76 114.14 26.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 64.31 110.831 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.707 HD21 ' HB1' ' A' ' 128' ' ' ALA . 3.2 mm? -102.18 128.87 48.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.918 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.23 129.0 56.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.871 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 t -104.14 143.17 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 72.3 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.492 ' HA ' HG22 ' A' ' 117' ' ' THR . 81.3 p -142.28 157.21 45.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 43.52 110.854 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t30 65.22 48.07 2.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 73.2 110.923 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.62 HD13 HG11 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -110.62 157.5 19.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 63.12 110.909 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.547 ' CG ' HD23 ' A' ' 140' ' ' LEU . 35.8 m-20 -55.56 177.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.866 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -93.1 -3.35 54.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.33 110.832 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.451 ' O ' HD22 ' B' ' 100' ' ' LEU . . . -91.46 -17.72 48.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.748 -0.739 . . . . 74.12 112.464 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.62 HG11 HD13 ' A' ' 82' ' ' LEU . 7.2 p -50.32 145.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 74.2 111.134 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -146.38 166.01 27.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 72.34 110.859 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.08 -59.39 3.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.86 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.87 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 73.13 111.11 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -59.36 5.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.884 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.053 HD12 HG22 ' A' ' 120' ' ' VAL . 39.8 pt -62.68 -29.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.43 111.118 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -61.05 -60.96 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.869 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.84 -46.92 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.608 HD12 ' HG3' ' B' ' 113' ' ' ARG . 0.2 OUTLIER -50.96 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 65.33 110.913 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.71 ' CB ' HD11 ' A' ' 101' ' ' LEU . 9.6 m-85 -58.55 -29.29 66.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.95 71.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 71.41 111.107 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.9 -30.21 45.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 73.01 110.842 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -69.17 -51.1 41.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.907 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.79 -101.68 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 61.21 112.502 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -135.98 143.09 44.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 64.4 111.136 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.71 HD11 ' CB ' ' A' ' 95' ' ' PHE . 44.9 mt -122.22 145.85 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.88 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 -25.8 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 63.23 110.934 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -167.71 155.63 8.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 74.33 110.905 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.624 ' HB3' ' HG3' ' A' ' 92' ' ' GLN . . . -156.25 121.64 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 44.04 111.127 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.21 157.37 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 72.5 111.167 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -121.32 152.33 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 64.24 111.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -94.15 122.78 37.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.845 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -114.94 152.57 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.907 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -100.02 -176.28 3.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.876 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -60.9 -31.33 70.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 63.45 110.879 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.97 -22.39 62.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 75.44 110.834 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.15 21.16 23.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.805 -0.712 . . . . 61.03 112.414 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -121.21 155.41 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.32 . . . . 54.4 110.875 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.5 t -52.08 127.3 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 73.22 110.922 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' A' ' 107' ' ' ASP . 16.4 mt -64.38 -25.77 68.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 132.46 -14.13 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 73.52 112.474 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 80' ' ' SER . 67.7 p -139.25 141.77 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 44.24 111.142 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -118.24 165.72 13.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 61.2 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.83 123.72 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 43.21 110.828 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 1.053 HG22 HD12 ' A' ' 91' ' ' ILE . 2.8 t -131.96 126.74 57.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 44.43 111.124 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -95.66 114.92 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 53.11 110.853 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.86 148.0 26.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.896 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -83.74 -18.19 38.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.88 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 137.75 38.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 61.14 110.842 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -38.1 77.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 63.44 110.886 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.74 -63.55 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 64.34 111.177 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -55.37 -33.02 63.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 63.25 110.836 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.707 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -67.68 -45.42 75.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 40.03 111.111 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 129' ' ' LEU . 1.0 OUTLIER -63.08 -48.21 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.904 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -63.41 -40.67 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.885 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.45 -62.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 61.13 111.091 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -31.24 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 73.53 110.832 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -80.08 -28.5 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 73.24 110.842 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.42 -10.87 44.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 75.12 110.906 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 138' ' ' VAL . 2.9 m-30 -107.01 -42.91 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.873 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -50.8 112.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.41 110.919 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.57 1.73 32.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 74.22 112.52 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 135' ' ' TYR . 61.3 t -84.51 112.8 44.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 74.22 111.121 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 131.42 21.2 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 73.41 112.356 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.601 ' CD1' HG22 ' B' ' 112' ' ' VAL . 8.2 tp -127.54 97.74 4.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.943 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 51.62 36.36 17.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.916 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.79 39.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 72.51 112.469 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -141.02 95.41 7.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 73.35 110.888 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 54.14 112.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.1 mtp -64.77 145.27 56.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -135.73 107.85 7.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.533 ' CG2' HD12 ' A' ' 77' ' ' LEU . 5.1 mp -105.95 141.71 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.099 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 131.49 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.933 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 77' ' ' LEU . 19.0 tp -88.16 123.84 33.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 71.55 110.845 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.65 121.15 64.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.157 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.528 ' HB1' ' HA2' ' A' ' 70' ' ' GLY . . . -87.98 96.99 10.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 61.24 111.09 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.6 t -161.14 157.38 25.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 44.22 110.849 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -161.27 170.48 20.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 71.34 110.903 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.623 ' O ' HD23 ' A' ' 156' ' ' LEU . 3.6 mp -120.44 -42.26 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 71.55 111.176 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.9 67.38 5.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 60.2 110.854 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 154' ' ' ILE . 0.9 OUTLIER -88.68 -24.98 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 64.55 110.923 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -68.75 -25.65 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.865 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 14.7 m170 62.72 52.48 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 61.21 110.883 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -133.78 49.49 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.856 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -52.08 152.5 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 75.22 110.842 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -78.89 -26.2 43.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 70.43 110.917 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -104.73 48.83 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.919 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 22.2 p80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.846 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 121.35 0.417 . . . . 35.53 112.559 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.81 68.49 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.642 2.228 . . . . 62.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 85' ' ' GLY . 13.9 mt -65.34 91.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 52.18 -136.21 35.01 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 72.42 112.492 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 32.1 t -93.77 42.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 54.04 110.901 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 66.9 m -84.32 80.4 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.4 110.835 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 22.5 p -103.74 -25.98 12.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.908 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -107.86 -76.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.899 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 13.3 t -99.74 176.32 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.21 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 36.9 m -69.34 -178.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.568 ' CZ3' HG23 ' A' ' 86' ' ' VAL . 67.5 t90 -83.77 -23.62 31.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 71.54 110.906 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -80.58 -23.94 39.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.1 111.096 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.71 -60.52 2.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.894 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -50.87 -37.82 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.848 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.601 HG22 ' CD1' ' A' ' 140' ' ' LEU . 99.9 t -69.25 -48.05 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.08 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.608 ' HG3' HD12 ' A' ' 94' ' ' LEU . 38.0 mtm180 -57.37 -36.72 71.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.873 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -74.52 -49.74 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.23 110.9 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.2 -41.39 65.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -77.35 -44.18 30.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 61.01 111.052 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.35 -25.55 67.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 62.44 111.142 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -69.6 -26.46 64.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.969 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -95.79 33.18 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 54.44 110.898 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 55.33 110.868 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.8 ptt? . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.792 0.33 . . . . 62.33 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.74 -179.55 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.073 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.8 m -133.44 99.37 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.2 110.85 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.4 ttt -122.07 83.15 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 75.33 110.827 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.8 p 49.96 39.46 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 75.41 111.137 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.01 175.97 26.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.747 . . . . 65.12 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.71 145.54 17.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 63.41 112.504 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -83.11 60.71 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.736 0.303 . . . . 72.51 110.86 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -113.51 167.68 10.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 71.15 110.934 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.46 172.45 11.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.918 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.32 -122.14 1.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 63.21 112.476 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -134.35 171.88 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.362 . . . . 74.51 110.796 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -86.42 160.6 50.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 75.43 110.915 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -15.48 37.43 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 63.42 112.38 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -55.96 -25.45 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.921 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -54.47 -27.15 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 51.03 110.92 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -52.01 136.84 28.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.945 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -75.2 73.23 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 74.51 110.933 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -122.07 -35.56 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.828 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -66.69 -18.62 65.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.864 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.77 12.7 12.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.134 -0.484 . . . . 72.11 110.919 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -51.95 152.5 3.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 71.15 110.865 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 t0 56.36 51.43 11.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 60.22 110.922 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.9 p -120.0 42.77 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.846 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -109.93 -87.81 1.85 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 65.52 112.543 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.548 ' HB2' HD13 ' A' ' 156' ' ' LEU . 96.1 m -143.24 143.0 31.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 65.33 110.882 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.19 -151.62 20.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 53.45 112.462 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.63 96.76 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 71.34 112.552 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.79 54.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 53.41 112.494 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.68 136.79 45.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 50.2 110.909 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.36 100.08 2.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 63.21 112.494 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.775 HG12 HG22 ' A' ' 73' ' ' THR . 2.7 t -132.28 143.45 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.779 0.323 . . . . 50.12 111.12 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -95.69 26.42 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 42.55 110.908 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.775 HG22 HG12 ' A' ' 71' ' ' VAL . 9.1 t -146.71 49.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 62.31 111.125 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.66 141.98 3.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 71.45 112.476 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.89 174.06 14.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 62.31 111.174 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HE2' HG11 ' A' ' 150' ' ' VAL . 37.0 ttpt -110.68 112.86 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.22 110.851 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.839 HD21 ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm? -95.32 122.49 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.842 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.53 119.93 39.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 62.44 110.908 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 82' ' ' LEU . 47.0 t -100.22 141.14 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.098 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.538 ' HA ' HG22 ' A' ' 117' ' ' THR . 29.7 m -146.72 157.45 43.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 61.33 110.884 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 t30 64.3 49.13 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 73.05 110.925 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' HB2' HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -111.46 166.38 11.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.896 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -54.98 177.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 62.13 110.876 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -97.35 8.24 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.841 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.73 -3.37 34.6 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.743 -0.741 . . . . 63.24 112.378 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.843 HG22 ' CZ2' ' B' ' 108' ' ' TRP . 13.0 t -53.61 148.57 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 74.04 111.153 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.22 160.6 43.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.794 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -49.86 -54.24 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 71.23 110.869 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.89 76.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.133 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.72 -53.74 54.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.864 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.417 HG13 ' HB1' ' A' ' 104' ' ' ALA . 21.8 pt -67.35 -35.95 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.23 111.154 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.405 ' CG ' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -57.44 -61.07 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.919 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.51 -47.85 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' HB2' ' HB1' ' B' ' 109' ' ' ALA . 0.2 OUTLIER -51.55 -65.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.11 110.861 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CD2' HG11 ' A' ' 120' ' ' VAL . 24.7 m-85 -59.35 -28.52 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 71.25 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 92' ' ' GLN . . . -63.55 -31.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 43.15 111.02 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -30.74 39.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.337 -0.392 . . . . 72.35 110.902 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -66.27 -52.71 44.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.52 110.839 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.73 -97.72 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.776 -0.726 . . . . 53.34 112.543 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 m -140.64 139.41 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 65.14 111.24 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.68 HD11 ' CB ' ' A' ' 95' ' ' PHE . 55.3 mt -119.21 154.99 32.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 52.32 110.893 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.88 -36.5 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.45 110.874 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -149.4 147.51 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 75.24 110.888 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.417 ' HB1' HG13 ' A' ' 91' ' ' ILE . . . -153.88 123.92 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 73.21 111.11 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.51 157.39 43.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 41.51 111.187 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 p -121.73 144.54 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.105 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.89 134.46 34.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 60.22 110.863 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.45 ' O ' HD12 ' A' ' 115' ' ' LEU . 2.6 m-85 -119.25 158.19 26.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 61.45 110.945 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -96.01 174.57 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 54.12 110.847 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -21.56 59.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.41 110.853 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -76.64 -22.48 54.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.839 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 94.29 42.52 3.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 62.01 112.543 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -148.78 168.48 22.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 72.02 110.884 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.79 117.81 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 62.42 110.854 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -66.8 -17.85 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 54.24 110.886 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 118.89 -10.27 12.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 71.42 112.453 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 80' ' ' SER . 59.5 p -142.24 141.26 32.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.32 . . . . 73.22 111.125 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -114.56 169.84 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.31 111.073 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -139.64 108.56 6.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.13 110.892 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.706 HG11 ' CD2' ' A' ' 95' ' ' PHE . 1.2 p -127.8 127.8 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 61.04 111.118 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -96.08 123.37 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 70.32 110.858 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.565 ' CD1' HD23 ' A' ' 77' ' ' LEU . 5.8 m-85 -83.39 151.97 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 73.52 110.898 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.87 -15.67 50.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.875 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.83 136.56 35.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.873 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -32.64 73.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.15 110.829 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.34 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 71.54 111.062 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.29 -23.37 48.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 62.33 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.839 ' HB1' HD21 ' A' ' 77' ' ' LEU . . . -70.0 -59.51 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 70.14 111.106 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 129' ' ' LEU . 3.3 tm? -58.54 -40.22 82.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 60.13 110.971 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.96 -48.81 72.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 70.33 110.941 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.88 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.094 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.411 ' SD ' HD22 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -52.92 -34.96 57.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.15 110.853 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -26.02 52.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 63.54 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -88.99 -14.05 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 63.02 110.912 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.517 ' O ' HG23 ' A' ' 138' ' ' VAL . 3.0 m-30 -105.48 -42.49 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.274 -0.421 . . . . 65.35 110.913 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -50.41 112.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 64.2 110.894 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.09 29.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.671 -0.776 . . . . 75.51 112.462 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' B' ' 116' ' ' ALA . 68.1 t -84.53 112.91 45.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 74.33 111.157 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.85 18.31 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.6 2.2 . . . . 62.51 112.367 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.4 tp -125.37 97.99 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 t70 52.56 34.73 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.863 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 93.58 19.74 34.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 60.41 112.529 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -141.14 97.12 7.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 65.41 110.85 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.16 4.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 73.12 112.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.563 ' HE3' HD11 ' A' ' 147' ' ' ILE . 4.2 mtp -63.15 142.94 58.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.932 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -132.37 107.68 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 61.23 110.905 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.563 HD11 ' HE3' ' A' ' 145' ' ' MET . 3.7 mp -112.36 143.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 63.2 111.082 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.27 144.08 48.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 63.11 110.933 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.753 ' HA ' HD13 ' A' ' 77' ' ' LEU . 8.8 tt -91.1 128.27 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.866 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.432 HG11 ' HE2' ' A' ' 76' ' ' LYS . 58.2 t -113.17 126.53 70.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 54.12 111.117 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.36 93.93 9.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.55 111.087 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.5 p -167.82 150.49 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 63.42 110.845 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.538 ' O ' HD13 ' A' ' 154' ' ' ILE . 12.3 mp0 -132.46 162.63 30.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.049 -0.523 . . . . 74.25 110.863 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 153' ' ' GLN . 25.9 mm -132.17 -49.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 74.31 111.16 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -54.39 151.28 7.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.01 110.864 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 65' ' ' CYS . 10.1 mt -89.05 -25.13 22.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.942 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.77 -29.9 42.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 60.3 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -75.12 -35.94 61.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.764 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -76.83 102.36 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.873 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -146.29 179.56 7.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 72.21 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -53.92 171.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.88 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -106.1 -72.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.54 110.807 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 4.9 t60 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 71.25 110.782 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 121.398 0.443 . . . . 54.04 112.54 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 174.84 8.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 62.51 112.353 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 16.9 tp -169.53 124.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 55.32 110.9 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.7 173.42 29.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 71.25 112.457 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -119.49 -34.77 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 54.45 110.872 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.9 m -60.5 172.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 73.32 110.873 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' CYS . . . . . . . . . . . . . 21.4 m -76.63 -71.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.914 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -54.02 -76.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.02 110.935 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -154.12 174.14 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 62.43 111.173 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.7 m -67.31 153.9 42.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 54.05 110.822 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' TRP . . . . . 0.843 ' CZ2' HG22 ' A' ' 86' ' ' VAL . 68.0 t90 -61.09 -25.63 67.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 72.32 110.937 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 94' ' ' LEU . . . -78.11 -26.65 48.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 74.13 111.078 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -69.73 -48.41 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.807 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -59.18 -39.79 83.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.806 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 108' ' ' TRP . 61.6 t -68.09 -60.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 43.14 111.087 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -55.09 -29.65 58.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 54.31 110.847 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.29 -38.18 43.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 71.5 110.918 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.57 77.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 50.43 111.067 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 138' ' ' VAL . . . -83.11 -46.38 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 72.23 111.111 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.47 -50.52 59.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 74.12 111.098 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -57.05 -24.9 57.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.927 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -94.93 51.8 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 71.34 110.879 -179.936 . . . . . . . . 0 0 . 1 stop_ save_