data_2lsm_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 2lsm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.928 0.394 . . . . 99.99 111.112 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -82.2 123.75 29.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 99.99 111.13 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.76 131.85 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.112 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.46 131.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.137 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 142.47 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.12 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.45 -20.79 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.08 156.39 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.112 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 102.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.916 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.77 143.21 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.919 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -97.49 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.838 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.9 t -109.52 146.88 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.136 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.65 89.38 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.832 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.04 121.55 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.56 122.47 41.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 124.61 13.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 99.99 110.812 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.81 -46.3 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.135 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -81.81 -31.69 31.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.13 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -110.59 -177.31 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 99.99 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.86 80.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 99.99 110.871 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.2 103.6 0.78 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 99.99 110.87 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 154.04 67.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 99.99 112.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.2 t -126.49 117.36 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 99.99 111.128 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.54 -21.64 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.112 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -159.08 129.52 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.866 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.31 159.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.118 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.64 162.61 21.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 99.99 110.898 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.706 2.271 . . . . 99.99 112.336 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.79 -6.97 2.14 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 99.99 112.471 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.8 m -97.4 134.35 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 99.99 111.119 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.16 113.76 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.107 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -118.24 140.84 49.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 99.99 110.888 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -90.34 136.22 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.83 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.79 178.55 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.143 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.6 t -70.43 159.64 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 99.99 110.837 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.21 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.06 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.93 28.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 99.99 112.473 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.34 -49.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 99.99 111.1 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.86 -37.59 52.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.087 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.68 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.106 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.19 -39.78 53.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 99.99 110.917 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.7 mmm -56.75 -54.46 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 99.99 110.867 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -66.32 -29.41 69.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.103 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.33 -22.01 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 99.99 110.854 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -77.54 -25.65 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 99.99 110.873 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.75 17.38 70.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 99.99 112.499 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.51 -24.23 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 99.99 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.99 151.49 52.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.08 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -128.12 146.03 50.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 99.99 110.867 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.4 mtp -72.1 121.25 18.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 99.99 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.961 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.881 0.372 . . . . 99.99 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -82.11 123.88 29.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.153 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -144.94 131.87 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.069 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.45 131.71 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.19 142.6 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.127 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.71 -20.54 15.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.912 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.2 m -142.11 156.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.171 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 102.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.861 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -137.86 143.27 40.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 99.99 110.922 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -97.51 105.07 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 99.99 110.842 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -109.57 146.52 34.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.174 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.33 89.36 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.813 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.93 121.73 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.097 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.64 122.35 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 99.99 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 125.12 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.883 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.31 -46.4 8.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.087 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.99 -31.13 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 99.99 111.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -110.98 -177.44 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.906 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -117.83 80.53 1.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 99.99 110.905 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -165.15 103.64 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 99.99 110.833 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 154.36 67.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 99.99 112.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 t -126.77 117.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.188 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.76 -21.71 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.068 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -159.09 129.61 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 99.99 110.828 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.37 159.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 99.99 111.156 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.51 22.18 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.551 0.691 . . . . 99.99 110.969 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.5 Cg_endo -69.73 85.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 99.99 112.368 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.08 -7.17 2.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 99.99 112.472 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.8 m -97.24 134.37 40.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.791 0.329 . . . . 99.99 111.096 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.15 113.84 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 99.99 111.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -118.24 140.77 49.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.938 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -90.12 136.12 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.81 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.9 m -137.74 178.5 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.162 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.8 t -70.56 159.71 33.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 99.99 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.31 74.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 99.99 111.076 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -34.94 28.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 99.99 112.534 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.22 -49.85 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 99.99 111.181 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.85 -39.68 59.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 99.99 111.115 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -40.38 59.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.129 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -76.13 -42.42 46.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 99.99 110.903 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.9 mmm -56.14 -54.41 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.6 p -64.79 -29.9 70.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.092 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -75.95 -23.94 55.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 99.99 110.861 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -27.12 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.24 19.16 63.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 99.99 112.501 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.77 -25.73 11.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 99.99 110.917 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.93 151.39 51.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 99.99 111.092 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -130.1 148.59 51.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 99.99 110.795 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.1 mtt -69.75 130.45 42.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.819 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 99.99 110.931 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.899 0.381 . . . . 99.99 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.9 m -82.92 117.5 22.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.178 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.29 132.22 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.096 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.49 130.27 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.162 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 140.79 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mt -99.6 -20.74 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 99.99 110.922 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 18.8 m -140.62 155.67 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.141 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.08 103.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -138.03 143.65 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 99.99 110.968 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -97.73 104.86 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 99.99 110.913 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.5 t -109.37 144.62 37.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.174 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -105.66 89.25 3.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 99.99 110.854 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.8 -179.95 3.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.102 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 127.18 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.905 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 113.25 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.801 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.48 -46.42 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.158 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.6 p -78.53 -34.63 47.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.1 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.79 -175.68 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 99.99 110.913 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -117.76 81.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.83 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.32 102.98 0.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 99.99 110.921 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.93 62.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.773 2.316 . . . . 99.99 112.341 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.0 t -122.51 119.94 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 99.99 111.128 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.54 -22.25 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.078 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -159.08 130.19 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 99.99 110.829 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.21 158.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.12 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.52 162.76 20.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 99.99 110.901 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.75 86.02 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 99.99 112.398 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.33 -5.29 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 99.99 112.505 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.9 m -98.25 133.89 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 99.99 111.126 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.19 115.9 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.124 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -121.25 135.96 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.912 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -85.18 135.86 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.907 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.7 m -138.31 178.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.096 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.8 t -70.45 159.19 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 99.99 110.805 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.68 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 99.99 111.158 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -35.2 27.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 99.99 112.419 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.75 -50.69 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 99.99 111.11 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.29 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.065 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.31 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.064 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.26 -45.16 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 99.99 110.805 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 79.9 mmm -51.46 -54.37 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.9 p -65.17 -29.18 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.132 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.12 -26.31 60.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 99.99 110.919 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -24.63 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 99.99 110.9 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.06 73.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 99.99 112.486 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.8 mt -103.79 -24.15 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 99.99 110.945 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.64 147.53 50.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.102 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -124.89 151.05 45.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 99.99 110.856 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.9 mtp -76.9 113.68 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 99.99 110.844 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 99.99 110.942 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.831 0.348 . . . . 99.99 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -82.22 121.95 27.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.156 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.77 130.84 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.114 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.37 131.69 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.139 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.99 138.91 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.057 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -95.01 -25.81 16.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 99.99 110.952 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.7 m -136.19 154.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.153 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.95 105.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 99.99 110.883 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 tp -140.42 143.39 35.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 99.99 110.95 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -95.95 105.17 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 99.99 110.858 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.4 t -109.73 148.14 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.182 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -111.72 89.19 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 99.99 110.856 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.67 112.58 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.053 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.38 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 99.99 110.926 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 127.06 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 99.99 110.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.14 -46.35 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.085 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -82.47 -32.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.17 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -108.2 -177.9 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 99.99 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.71 80.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.856 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.28 103.51 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 99.99 110.896 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.709 2.273 . . . . 99.99 112.323 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.48 118.91 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.8 -21.08 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 99.99 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -159.13 129.04 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.815 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.61 158.77 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 99.99 111.16 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.466 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.59 162.68 21.27 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.744 . . . . 99.99 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.65 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 99.99 112.307 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.9 -6.23 2.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 99.99 112.492 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.3 m -97.54 133.97 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 99.99 111.116 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.66 115.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.104 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -119.2 136.28 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 99.99 110.899 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -85.72 133.14 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 99.99 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.62 178.12 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.136 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.89 148.37 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 99.99 110.833 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.65 -33.82 23.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 99.99 111.118 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.17 -28.86 47.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 99.99 112.467 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.4 -48.93 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 99.99 111.141 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.19 -37.76 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.072 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.57 -41.96 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.105 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.14 -45.95 31.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.875 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.9 mmm -50.49 -54.36 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.918 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.4 p -65.11 -29.14 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -73.36 -24.85 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.937 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.18 54.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 99.99 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.67 19.13 74.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 99.99 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.14 -24.55 11.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.798 0.332 . . . . 99.99 110.978 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.95 154.06 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.083 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -134.25 145.62 49.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 99.99 110.818 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.5 mtt -63.64 145.9 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 99.99 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.918 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.891 0.377 . . . . 99.99 111.065 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.5 m -84.36 121.32 27.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.119 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.37 132.93 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 99.99 111.15 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.41 132.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.148 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.14 143.84 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.3 mt -100.17 -22.11 15.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 99.99 110.939 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 m -142.36 157.11 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.099 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.02 102.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 99.99 110.861 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.2 tp -138.05 142.8 40.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 99.99 110.927 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -96.74 105.24 17.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.867 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.8 t -110.06 147.57 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.082 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -111.01 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.849 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.8 113.25 14.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.108 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.18 122.58 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.9 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 126.57 18.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.834 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.94 -46.12 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.065 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -37.3 25.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 99.99 111.142 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -103.55 -177.77 3.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.842 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.84 80.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.859 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.13 104.0 0.78 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 99.99 110.915 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 154.27 68.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 99.99 112.35 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.1 t -126.22 120.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.069 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.57 -22.22 8.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.07 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -159.05 128.93 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 99.99 110.84 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -115.1 158.91 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.136 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.69 162.77 20.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 99.99 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.73 85.16 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.711 2.274 . . . . 99.99 112.298 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.16 -7.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 99.99 112.461 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.1 m -97.21 134.42 40.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 99.99 111.112 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.04 114.18 25.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -117.5 141.02 48.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.845 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -89.05 136.71 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.917 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 30.5 m -137.63 177.31 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.191 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.73 146.79 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 99.99 110.823 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.02 -33.73 26.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.089 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.05 -27.09 54.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 99.99 112.552 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.86 -48.5 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.317 . . . . 99.99 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.2 51.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.132 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.48 61.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.038 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.06 -43.0 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 99.99 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.4 mmm -53.04 -54.35 36.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 99.99 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.1 p -66.0 -29.43 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 99.99 111.101 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -22.87 58.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 99.99 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -77.03 -25.26 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.86 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.02 23.19 61.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 99.99 112.394 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.2 mt -112.2 -24.65 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.877 0.37 . . . . 99.99 110.941 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.97 158.46 38.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.12 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.07 142.89 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.869 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.1 mtt -62.6 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 99.99 110.953 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.874 0.368 . . . . 99.99 111.18 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 m -84.28 121.11 27.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.057 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 p -140.36 132.55 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.11 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.44 132.18 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 99.99 111.111 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.98 143.94 52.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.155 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.1 mt -100.76 -21.58 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.943 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.46 157.3 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.167 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.9 tp -137.65 143.38 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.959 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -97.16 105.18 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.81 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.2 t -109.81 147.84 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.185 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -111.43 89.23 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 99.99 110.936 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.26 112.58 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.063 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.59 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 127.06 19.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.836 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.04 -46.36 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.119 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.52 -31.83 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.078 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -109.54 -177.79 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.69 80.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.826 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -165.29 103.56 0.77 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.725 0.774 . . . . 99.99 110.887 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 154.29 67.75 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.66 2.24 . . . . 99.99 112.33 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.02 120.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.03 -21.65 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.095 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -159.02 129.37 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 99.99 110.949 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.17 158.86 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.11 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.47 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.55 22.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 99.99 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.72 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 99.99 112.322 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.31 -7.46 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 99.99 112.423 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.8 m -97.07 134.55 40.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 99.99 111.097 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.44 113.88 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.103 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -117.37 136.19 53.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 99.99 110.905 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -86.02 133.26 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 99.99 110.839 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.5 m -133.29 178.05 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.153 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.57 148.12 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 99.99 110.809 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.57 -35.38 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.048 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -27.04 53.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 99.99 112.465 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.45 -48.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 99.99 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.09 -41.09 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.156 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.26 -39.62 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.2 -43.7 41.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.863 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 86.6 mmm -54.31 -54.51 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.1 p -63.99 -29.4 70.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.144 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.06 -24.42 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 99.99 110.928 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -76.67 -26.19 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 99.99 110.911 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.37 28.06 49.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 99.99 112.531 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 mt -116.64 -26.35 7.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 99.99 110.876 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.68 153.66 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.066 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -133.32 142.17 48.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 99.99 110.877 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.12 137.83 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 99.99 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 99.99 110.875 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.922 0.391 . . . . 99.99 111.162 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 m -82.68 122.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 99.99 111.159 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -143.16 131.49 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.33 132.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.16 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.45 144.82 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.096 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.55 -20.93 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 99.99 110.857 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.14 156.04 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.111 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.95 102.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 99.99 110.888 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 tp -137.18 143.19 42.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.901 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -96.62 105.21 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 99.99 110.863 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.4 t -110.49 147.23 34.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.086 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -111.0 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.873 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.3 112.58 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 122.54 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 99.99 110.942 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 126.9 18.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 99.99 110.918 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.99 -46.23 7.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.05 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 t -82.63 -31.77 28.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.151 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -109.56 -177.81 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 99.99 110.826 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.63 80.41 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 99.99 110.862 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -165.27 103.69 0.77 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 99.99 110.845 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.9 154.32 67.3 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 99.99 112.332 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.01 120.19 54.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.11 -21.87 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.08 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.55 129.47 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.827 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.54 158.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.42 162.75 20.75 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.714 . . . . 99.99 110.912 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.52 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 99.99 112.266 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.71 -6.85 2.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 99.99 112.51 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.0 m -97.16 133.57 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 99.99 111.149 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.75 115.66 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.116 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -119.3 141.76 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -90.04 135.51 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 99.99 110.886 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.91 178.23 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.128 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.37 147.34 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.07 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.066 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.01 -28.52 49.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 99.99 112.473 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.8 t -76.55 -47.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 99.99 111.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.86 -36.81 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 99.99 111.073 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -42.94 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.12 -45.54 33.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.929 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.3 mmm -51.13 -48.71 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.5 p -75.63 -29.39 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -22.36 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 99.99 110.931 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -22.92 31.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 99.99 110.837 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.71 16.36 75.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 99.99 112.48 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.3 mt -99.19 -24.54 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 99.99 110.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.4 151.15 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.102 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -129.95 148.55 51.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 99.99 110.869 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.0 mtt -68.07 130.97 44.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 99.99 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 99.99 110.918 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 99.99 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -85.53 114.98 22.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 99.99 111.175 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.05 135.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -111.77 130.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.084 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.96 141.85 52.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.171 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mt -100.08 -20.49 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 99.99 110.924 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.12 155.85 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.21 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -53.14 103.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.927 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -139.19 141.58 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 99.99 110.894 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -96.29 104.99 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.817 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.6 t -109.51 144.69 37.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.17 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -105.75 89.29 3.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 99.99 110.848 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -117.5 -179.93 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 99.99 111.144 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.68 127.02 9.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 99.99 110.932 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 99.99 110.86 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.41 -46.42 16.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -37.55 40.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.127 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -107.14 -175.97 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 99.99 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.88 81.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.855 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -164.3 103.83 0.87 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 99.99 110.909 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 155.7 65.55 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.614 2.209 . . . . 99.99 112.4 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.4 t -120.27 120.46 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 99.99 111.097 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.15 -22.5 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.042 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -158.95 129.83 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.921 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.58 158.16 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.18 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.474 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.83 20.52 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 99.99 110.944 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.75 85.64 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.766 2.311 . . . . 99.99 112.254 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.88 -5.78 2.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 99.99 112.508 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.6 m -98.04 134.96 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 99.99 111.115 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.1 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.084 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -121.46 136.49 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 99.99 110.926 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -84.94 135.02 34.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 99.99 110.885 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 30.5 m -137.44 170.8 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.139 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 144.78 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 99.99 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.56 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -29.46 45.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 99.99 112.515 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.14 -48.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 99.99 111.02 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.88 -37.31 51.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.085 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.131 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.27 -42.77 44.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 99.99 110.838 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.2 mmm -53.94 -54.51 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 99.99 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -64.45 -29.36 70.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.108 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -75.81 -23.57 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.843 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -76.11 -25.7 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.896 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 99.99 112.521 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.5 mt -114.48 -25.04 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 99.99 110.94 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -133.34 149.65 51.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.56 145.74 50.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 99.99 110.933 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -59.43 138.51 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.855 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.873 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.903 0.382 . . . . 99.99 111.076 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.5 m -82.13 120.71 25.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.115 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.3 t -140.72 130.84 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.153 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.34 130.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.155 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.01 142.78 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.106 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -101.41 -20.01 15.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.949 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -142.19 155.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.171 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 102.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.873 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -138.15 142.98 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -97.43 105.07 17.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.856 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -109.52 147.04 33.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.12 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.78 89.25 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.898 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.97 121.79 27.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 99.99 111.055 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.45 42.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 99.99 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 124.31 13.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.895 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.57 -46.16 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 99.99 111.128 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 m -81.77 -32.58 31.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.122 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -109.63 -177.36 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -117.83 80.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.94 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.09 103.54 0.78 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.603 0.716 . . . . 99.99 110.906 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 154.54 67.54 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.719 2.279 . . . . 99.99 112.358 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.13 117.29 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.55 -21.8 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -158.99 129.6 5.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.881 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.38 158.83 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.175 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.53 162.67 21.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 99.99 110.942 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.77 86.33 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.68 2.253 . . . . 99.99 112.321 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.84 -5.98 2.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 99.99 112.482 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 96.1 m -98.27 134.15 41.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 99.99 111.092 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.46 114.0 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.09 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -118.31 137.44 53.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 99.99 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -87.64 135.49 33.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 99.99 110.843 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.3 m -137.1 178.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.121 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.9 t -70.89 159.4 34.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 99.99 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.29 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.059 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.19 -35.32 27.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 99.99 112.48 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.78 -50.04 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 99.99 111.124 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.94 -41.88 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 99.99 111.167 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.54 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.077 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.03 -48.96 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 99.99 110.885 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 66.8 mmm -52.06 -54.4 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.911 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.7 p -64.43 -31.49 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.158 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -69.95 -24.69 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 99.99 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.36 -27.33 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 99.99 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.47 21.36 54.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 99.99 112.522 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 mt -107.6 -30.59 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 99.99 110.914 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.82 151.72 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 99.99 111.094 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -124.53 127.18 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 99.99 110.84 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 11.5 mtp -51.64 135.17 29.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.893 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.948 0.404 . . . . 99.99 111.167 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.9 m -82.39 124.05 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.155 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.67 132.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 99.99 111.124 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.28 132.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.133 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.58 144.94 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.071 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.5 mt -103.23 -18.36 14.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.925 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.5 m -143.74 155.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.088 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.23 102.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 99.99 110.914 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 tp -137.96 140.97 40.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.923 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -95.45 105.17 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 99.99 110.923 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.4 t -110.21 145.72 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.186 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.45 89.37 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.828 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.84 115.91 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.145 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.39 122.49 34.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 99.99 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 125.69 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 99.99 110.859 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.78 -46.13 8.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.05 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -39.95 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.136 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -177.77 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 99.99 110.922 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.82 80.1 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.885 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.2 103.94 0.78 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 99.99 110.851 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.69 2.26 . . . . 99.99 112.299 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.4 t -125.9 120.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.125 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.26 -21.79 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.141 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -159.06 128.87 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 99.99 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.71 158.14 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.12 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.51 162.83 20.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 99.99 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.77 84.52 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.213 . . . . 99.99 112.372 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.12 -7.95 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 99.99 112.482 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.4 m -96.59 134.01 40.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 99.99 111.171 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.6 115.89 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.156 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -120.01 142.64 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 99.99 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -91.05 136.08 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 99.99 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.9 178.37 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.129 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -70.61 159.29 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.926 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.11 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 99.99 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.22 27.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.774 . . . . 99.99 112.421 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.85 -50.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.328 . . . . 99.99 111.109 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.79 -38.01 53.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.02 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.65 -43.4 62.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.31 -0.405 . . . . 99.99 111.065 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.28 -36.95 58.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 78.5 mmm -59.16 -54.47 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -66.53 -29.33 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.186 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -77.26 -22.26 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 99.99 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -76.91 -25.26 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.25 74.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 99.99 112.5 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.54 -24.4 13.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 99.99 110.9 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.54 155.36 47.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.126 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -131.71 143.46 50.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.878 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 mtp -72.25 127.17 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 99.99 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 99.99 110.949 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.818 0.342 . . . . 99.99 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 m -82.42 122.65 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.157 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.48 134.0 25.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.151 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.0 p -112.63 130.89 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 99.99 111.109 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.56 154.28 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.064 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mt -110.82 -11.72 14.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.946 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.6 159.95 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 99.99 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -53.38 104.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.924 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -137.17 144.22 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 99.99 110.945 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -96.95 105.19 17.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.813 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.6 t -116.31 146.93 42.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.148 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -114.17 89.21 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 99.99 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.72 112.94 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.09 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.64 122.55 32.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 99.99 110.886 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 127.02 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 99.99 110.86 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.97 -46.21 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.171 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 t -82.82 -31.32 28.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.195 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -109.82 -177.84 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 99.99 110.898 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.67 80.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 99.99 110.825 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.2 103.8 0.78 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 99.99 110.907 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.89 55.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 99.99 112.373 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.17 131.77 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.16 -33.31 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.141 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -152.16 126.31 9.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 99.99 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.7 m -105.94 151.51 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.131 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.422 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 0.6 OUTLIER -113.32 165.81 12.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.584 0.707 . . . . 99.99 110.959 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.82 91.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.639 2.226 . . . . 99.99 112.362 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.35 -0.54 3.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 99.99 112.506 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 42.0 m -105.05 135.41 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 99.99 111.172 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.18 115.66 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -120.24 142.57 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 99.99 110.936 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -92.76 135.1 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 99.99 110.926 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.3 m -137.21 178.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.119 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.1 t -69.94 159.83 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 99.99 110.81 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 99.99 111.136 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.07 -35.53 27.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 99.99 112.575 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.8 t -65.56 -50.07 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 99.99 111.166 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.98 -36.75 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.123 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.31 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.146 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.18 -46.06 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 99.99 110.871 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 75.9 mmm -51.35 -52.7 43.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.828 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -69.54 -29.29 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.111 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.48 -24.78 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -22.87 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 99.99 110.874 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.01 -2.63 87.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 99.99 112.511 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.8 mt -77.03 -23.38 52.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 99.99 110.902 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -139.16 151.39 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.16 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.09 144.0 51.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.807 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.0 mtt -68.62 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.961 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.853 0.359 . . . . 99.99 111.17 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -84.06 120.72 26.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.151 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.9 t -140.36 132.0 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.129 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.71 132.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.101 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.36 137.58 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.126 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.7 mt -93.2 -28.03 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 28.3 m -134.48 154.63 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.119 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.94 106.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.957 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.2 tp -142.01 143.25 33.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 99.99 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -95.79 104.99 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.893 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -109.7 142.95 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.134 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.44 89.06 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.875 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.95 121.1 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.194 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.74 122.21 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 99.99 110.912 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 123.28 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 99.99 110.853 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.45 -46.13 8.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.146 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -81.92 -36.86 27.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.177 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -104.46 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 99.99 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.98 80.43 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 99.99 110.878 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.44 102.88 0.76 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.676 0.75 . . . . 99.99 110.953 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 155.19 66.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 99.99 112.292 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.3 t -128.57 118.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.179 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.06 -22.32 9.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.057 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -158.36 129.78 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.898 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.82 159.01 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 99.99 111.096 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.5 mm? -113.65 162.59 21.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.536 0.684 . . . . 99.99 110.914 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.2 Cg_endo -69.74 87.67 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 99.99 112.336 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.01 -3.48 2.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 99.99 112.486 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.0 m -99.61 134.97 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 99.99 111.164 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 111.85 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.186 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -116.06 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.911 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -84.98 135.34 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.859 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 26.7 m -136.28 177.47 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.065 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.2 t -70.43 158.97 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 99.99 110.813 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.48 73.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.07 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -35.88 25.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 99.99 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 -49.47 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 99.99 111.128 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.88 -43.08 63.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 99.99 111.048 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.19 58.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 99.99 111.109 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.18 -51.18 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.876 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 65.3 mmm -52.85 -54.39 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -61.87 -29.74 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.099 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.76 -23.03 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.85 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -28.74 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 99.99 110.893 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.59 57.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 99.99 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.4 mt -105.27 -25.67 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 99.99 110.862 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.83 151.21 49.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.11 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -124.61 127.41 47.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.894 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 11.5 mtp -51.61 135.54 28.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.898 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.928 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.916 0.388 . . . . 99.99 111.121 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -81.31 123.42 28.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.133 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.49 130.9 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.139 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.66 132.22 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.193 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.51 144.65 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.128 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mt -101.55 -20.84 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 99.99 110.908 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.4 m -142.78 157.04 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.121 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.1 102.32 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 99.99 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 tp -137.61 143.5 41.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.958 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.04 105.0 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 99.99 110.93 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -110.32 148.39 32.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.115 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -113.59 88.61 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.815 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.6 113.22 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -89.83 141.39 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.867 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 132.54 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.796 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.25 -46.06 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.132 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -37.52 19.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.194 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -101.13 -177.5 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -118.08 79.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.3 mt-10 -165.11 103.36 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 99.99 110.884 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.435 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 54.0 Cg_endo -69.82 172.69 12.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.636 2.224 . . . . 99.99 112.327 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.51 124.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.93 -20.94 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.084 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -159.16 129.84 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.871 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.67 158.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 99.99 111.133 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.472 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.66 21.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.665 0.745 . . . . 99.99 110.901 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.716 2.278 . . . . 99.99 112.33 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.53 -7.53 2.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 99.99 112.466 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.3 m -96.57 133.45 41.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 99.99 111.14 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 114.9 26.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.129 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -119.0 135.89 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 99.99 110.853 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -85.04 135.36 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.918 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.4 m -134.9 178.2 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.126 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.8 149.23 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 99.99 110.827 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.38 -36.46 32.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 99.99 111.154 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.2 -27.31 52.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 99.99 112.472 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.62 -49.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.786 0.327 . . . . 99.99 111.113 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.11 -38.01 55.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.106 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.89 61.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.126 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.96 -44.89 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 99.99 110.911 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.6 mmm -52.0 -54.39 30.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.1 p -65.31 -30.91 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 99.99 111.148 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.35 -23.95 62.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -75.95 -25.98 56.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.882 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.07 21.64 64.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 99.99 112.474 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.6 mt -110.79 -25.32 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 99.99 110.889 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.91 154.9 45.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.11 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -134.35 147.04 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.2 mtt -65.75 143.61 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 99.99 110.811 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.855 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.899 0.38 . . . . 99.99 111.16 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.5 m -83.66 121.25 27.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.134 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.16 134.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.112 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -112.29 131.39 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 99.99 111.144 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 144.58 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.138 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.81 -19.6 14.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.842 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 m -142.07 155.82 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.113 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.07 102.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 99.99 110.925 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -138.02 142.8 40.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 99.99 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -97.02 105.11 17.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.836 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -109.72 143.59 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.113 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.77 89.4 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.875 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.56 120.77 24.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.133 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 122.22 41.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 99.99 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.32 126.91 20.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 99.99 110.912 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.05 -46.61 7.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 99.99 111.129 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 t -82.51 -30.09 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.15 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -111.31 -178.02 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.7 80.51 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.905 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.53 104.02 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.664 0.745 . . . . 99.99 110.837 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.36 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 99.99 112.361 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -127.61 112.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.181 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.04 -21.18 12.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.029 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -159.19 129.48 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 99.99 110.82 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.8 158.37 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 99.99 111.124 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.63 162.61 21.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 99.99 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.4 Cg_endo -69.76 86.29 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.669 2.246 . . . . 99.99 112.37 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.22 -5.34 2.41 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.693 -0.765 . . . . 99.99 112.482 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.5 m -98.08 134.84 40.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 99.99 111.123 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.61 114.87 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.073 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -120.22 141.42 49.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 99.99 110.935 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -91.15 136.04 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 99.99 110.845 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.92 172.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 99.99 111.129 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.5 t -62.8 158.45 18.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 99.99 110.833 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.55 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.129 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.24 -37.54 21.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 99.99 112.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.55 -49.06 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 99.99 111.165 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.9 -37.94 54.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.089 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -41.97 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.111 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.26 -44.71 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 99.99 110.88 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.5 mmm -51.74 -54.49 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.947 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.1 p -67.35 -29.33 68.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.141 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -73.04 -24.09 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.882 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -26.02 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 99.99 110.862 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.34 19.14 65.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 99.99 112.561 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.7 mt -104.99 -25.25 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 99.99 110.925 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.8 150.0 52.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.048 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -128.42 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.806 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.51 140.71 58.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 99.99 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.941 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.891 0.376 . . . . 99.99 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.1 m -83.82 116.72 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.205 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.49 134.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.179 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.95 130.56 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.145 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.24 140.56 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.055 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mt -99.24 -21.68 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 99.99 110.96 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.2 m -140.09 155.71 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.166 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.94 103.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 99.99 110.904 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.9 tp -138.38 143.71 39.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 99.99 110.935 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.74 104.77 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 99.99 110.888 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.3 t -109.61 144.19 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.115 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -105.08 89.28 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.861 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.96 179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.069 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.67 126.76 9.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 99.99 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 117.07 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.84 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.51 -46.52 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.064 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -79.86 -27.46 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.117 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -117.84 -176.09 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 99.99 110.835 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -117.75 81.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.67 103.27 0.83 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 99.99 110.94 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.87 67.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 99.99 112.322 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.3 t -119.45 121.62 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.092 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.25 -22.86 8.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.097 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.52 130.21 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.39 159.14 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.162 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.466 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.64 21.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.683 . . . . 99.99 110.909 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.75 86.01 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.688 2.258 . . . . 99.99 112.359 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.56 -5.96 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 99.99 112.467 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.9 m -97.66 134.06 41.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 99.99 111.109 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.12 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -121.31 136.08 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 99.99 110.923 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -84.82 134.43 34.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 99.99 110.894 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.56 172.46 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.137 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.69 145.89 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.854 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.15 -30.47 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 99.99 111.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.8 37.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 99.99 112.529 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.77 -48.58 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 99.99 111.134 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.71 -36.78 48.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.138 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.74 62.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.044 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -44.88 36.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.848 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 80.6 mmm -51.62 -54.33 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.836 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.5 p -68.92 -30.63 69.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.123 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.66 -14.18 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 99.99 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -22.54 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 99.99 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.73 29.32 52.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 99.99 112.49 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 19.3 mt -115.03 -23.8 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 99.99 110.953 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.96 149.57 50.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.066 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.41 146.98 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.868 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.72 128.32 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.906 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.95 0.405 . . . . 99.99 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -82.57 122.78 28.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.149 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 p -143.57 132.18 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.108 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.19 132.26 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.099 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.54 146.3 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.02 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.15 -21.53 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 99.99 110.856 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.0 m -141.65 156.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 99.99 111.132 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.96 102.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 99.99 110.824 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.07 143.36 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.914 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -96.78 105.28 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.809 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.4 t -110.64 146.81 35.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 99.99 111.146 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 89.34 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.39 113.09 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.12 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.32 122.52 33.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 99.99 110.954 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 126.91 18.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 99.99 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.91 -46.21 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 99.99 111.096 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -82.59 -32.46 28.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.141 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -108.71 -177.81 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 99.99 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -117.74 80.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.871 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.22 103.66 0.77 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 99.99 110.862 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.54 67.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 99.99 112.312 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.6 t -127.23 120.4 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.149 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.37 -21.8 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.127 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -158.42 129.78 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 99.99 110.921 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.57 157.87 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.117 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.43 162.7 20.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.622 0.725 . . . . 99.99 110.964 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.86 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.716 2.277 . . . . 99.99 112.368 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.48 -5.78 2.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 99.99 112.487 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.6 m -97.6 134.47 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 99.99 111.153 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.36 115.8 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.069 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -119.53 136.32 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.942 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -86.32 131.9 34.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.832 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.03 175.08 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.099 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 148.21 46.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.497 . . . . 99.99 110.863 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.58 -35.62 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 99.99 111.044 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -27.05 53.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.814 -0.708 . . . . 99.99 112.447 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.96 -49.1 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 99.99 111.072 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.98 -38.09 55.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.131 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -41.79 60.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 99.99 111.125 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.1 -43.71 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.933 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.7 mmm -52.84 -54.48 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.861 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.7 p -66.03 -29.25 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.16 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.77 -23.41 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 99.99 110.944 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.91 -30.38 56.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.69 24.26 43.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 99.99 112.45 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.8 mt -114.09 -25.35 8.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 99.99 110.895 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.33 152.39 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.125 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.59 145.42 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.877 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.7 mtt -59.51 130.99 49.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.849 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 99.99 110.929 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.906 0.384 . . . . 99.99 111.074 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -81.53 125.21 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.155 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -147.35 131.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.095 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.86 131.63 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.42 142.38 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.097 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -99.98 -21.45 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 99.99 110.944 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -141.53 156.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.111 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.04 102.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.937 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.1 tp -137.86 143.17 40.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 99.99 110.924 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -97.24 105.01 17.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.911 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -109.52 146.64 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.134 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -109.55 89.39 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.01 122.05 27.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.124 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.46 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.36 124.54 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 99.99 110.864 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.84 -46.26 8.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.1 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.91 -31.59 31.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.076 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.54 -177.28 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 99.99 110.861 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.94 80.57 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 99.99 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.15 103.52 0.78 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.616 0.722 . . . . 99.99 110.879 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 154.37 68.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.679 2.253 . . . . 99.99 112.344 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 t -126.75 118.61 51.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.59 -22.04 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 99.99 111.081 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -158.91 129.31 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 99.99 110.924 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.03 159.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.122 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.58 162.6 21.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 99.99 110.948 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.55 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 99.99 112.377 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.1 -7.26 2.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.732 . . . . 99.99 112.498 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -97.48 133.23 42.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.805 0.336 . . . . 99.99 111.144 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 114.8 26.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.099 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -118.48 138.94 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 99.99 110.884 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -88.68 133.25 34.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.847 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.42 177.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.157 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.4 t -70.7 158.77 35.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.852 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.08 72.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.066 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.23 -35.28 27.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 99.99 112.447 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.51 -50.36 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 99.99 111.153 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.28 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.1 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.64 -42.03 61.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.137 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.36 -42.52 44.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 99.99 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 83.5 mmm -54.25 -54.49 39.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.9 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 99.99 111.174 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.45 -23.16 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 99.99 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -79.14 -26.38 42.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 99.99 110.805 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.85 67.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 99.99 112.454 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.3 mt -104.49 -25.12 12.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 99.99 110.871 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.96 149.4 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.105 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.86 148.31 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.854 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.5 mtt -67.9 127.19 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 99.99 110.902 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.991 0.424 . . . . 99.99 111.076 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.9 m -84.99 126.72 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 99.99 111.17 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.2 p -147.47 133.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.108 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -111.53 132.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.1 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 146.56 51.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.105 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.08 -25.81 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.915 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.15 157.09 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.195 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -52.88 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.6 tp -139.97 143.01 36.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 99.99 110.934 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -95.69 104.94 16.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 99.99 110.839 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.2 t -111.36 142.03 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.21 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -109.71 88.26 2.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.1 112.0 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 99.99 111.138 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HG ' ' HA ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -89.79 138.57 31.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.917 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 124.21 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 99.99 110.873 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.67 -46.19 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.088 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.0 p -84.72 -43.87 13.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.211 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.9 -176.85 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 99.99 110.873 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -118.45 80.2 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.858 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -165.56 102.0 0.75 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.634 0.73 . . . . 99.99 110.889 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.7 171.42 14.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 99.99 112.341 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -145.32 130.75 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.79 -32.01 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -149.86 131.25 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 99.99 110.921 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.21 157.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.121 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.79 20.68 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 99.99 110.899 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.81 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 99.99 112.335 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.37 -4.9 2.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.772 . . . . 99.99 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.1 m -98.07 134.89 40.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 99.99 111.131 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.7 115.04 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.088 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -118.67 135.27 54.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.828 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -86.1 132.43 34.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 99.99 110.829 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.0 m -132.79 177.44 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.162 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 t -71.02 158.78 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 99.99 110.868 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.76 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.084 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.42 -34.9 27.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 99.99 112.519 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.42 -49.99 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 99.99 111.115 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.74 -36.98 49.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.096 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.49 62.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -76.34 -43.57 40.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.872 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mmm -51.9 -54.39 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 99.99 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.2 p -65.56 -29.41 70.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.12 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.76 -23.15 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 99.99 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -27.63 54.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 99.99 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.9 64.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 99.99 112.454 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.5 mt -107.26 -24.5 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 99.99 110.864 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.17 151.39 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.077 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -133.47 142.3 48.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 99.99 110.892 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -56.77 130.12 44.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.87 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.92 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.913 0.387 . . . . 99.99 111.15 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -84.02 125.05 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.103 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 p -145.63 133.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.095 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.31 132.11 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.066 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.0 147.1 50.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.086 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.19 -24.49 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 m -138.99 156.39 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.134 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -53.04 103.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.834 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 tp -139.17 141.25 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.871 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -94.72 105.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.826 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.0 t -111.19 145.26 38.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.127 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -111.02 88.43 2.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 99.99 110.838 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.82 112.96 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.114 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HG ' ' HA ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -89.9 139.9 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.893 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 124.77 22.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.891 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.81 -45.74 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.056 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.3 m -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.11 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -97.35 -176.44 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 99.99 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -118.2 80.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.852 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -165.27 102.78 0.77 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 99.99 110.893 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.75 171.76 13.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 99.99 112.357 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -144.88 125.38 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 99.99 111.15 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.3 -21.77 6.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.086 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -159.12 129.35 5.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 99.99 110.842 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.1 158.0 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 99.99 111.151 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.472 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.1 mm? -113.53 162.81 20.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.571 0.7 . . . . 99.99 110.905 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.1 Cg_endo -69.83 86.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.644 2.229 . . . . 99.99 112.321 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.1 -4.9 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.725 . . . . 99.99 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.7 m -98.7 134.79 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 99.99 111.179 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.8 115.01 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.077 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -118.9 135.23 54.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 99.99 110.848 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -84.96 135.04 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 99.99 110.882 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.17 175.01 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.128 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.5 t -68.48 158.31 34.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 99.99 110.898 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.33 -33.43 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.099 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.73 25.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.77 . . . . 99.99 112.528 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.18 -50.08 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 99.99 111.175 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.82 -36.94 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.074 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.71 -42.57 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.11 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.38 -43.88 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.838 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.4 mmm -51.74 -54.42 28.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 99.99 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.2 p -66.3 -29.32 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.137 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.29 -23.14 59.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.81 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -79.25 -25.56 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.833 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.79 70.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 99.99 112.543 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.0 mt -104.2 -24.36 13.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 99.99 110.934 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.2 151.43 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.145 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -131.79 142.6 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 99.99 110.855 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.2 mtt -64.49 130.36 43.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 99.99 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 99.99 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.877 0.37 . . . . 99.99 111.149 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.6 m -84.32 118.04 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.161 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.31 133.33 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 99.99 111.167 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 p -112.25 129.97 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.119 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.38 149.26 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.098 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mt -107.34 -12.02 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.935 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.9 m -153.2 159.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.125 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -53.38 105.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.889 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -138.43 143.68 39.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.922 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -97.24 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.853 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.3 t -114.92 142.3 46.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.169 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.44 89.29 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.45 179.91 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.096 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.84 130.61 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 99.99 110.878 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 119.81 12.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.871 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.73 -46.56 10.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.091 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -26.22 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.102 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -118.32 -176.61 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 99.99 110.828 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -117.66 81.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 99.99 110.869 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.49 104.17 0.85 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 99.99 110.926 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 164.76 33.29 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.633 2.222 . . . . 99.99 112.343 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.12 130.69 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.116 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.47 -34.1 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -152.05 127.94 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 99.99 110.836 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 m -108.41 152.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.15 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.43 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -113.35 165.63 12.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.577 0.703 . . . . 99.99 110.911 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.82 92.29 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.692 2.262 . . . . 99.99 112.365 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.52 0.8 3.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.638 -0.791 . . . . 99.99 112.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.1 m -106.81 134.8 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 99.99 111.123 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -98.73 115.92 29.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.142 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -121.54 136.61 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.921 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -87.87 133.29 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.835 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.09 172.92 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.169 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.2 145.55 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 99.99 110.813 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.56 -30.56 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 99.99 111.133 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.12 -28.74 48.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.837 -0.696 . . . . 99.99 112.456 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.97 -47.77 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 99.99 111.157 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.77 -37.33 50.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.149 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -42.52 61.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.21 -42.93 44.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 99.99 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.6 mmm -53.31 -54.39 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.1 p -65.03 -30.56 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 99.99 111.137 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.14 -22.22 59.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.855 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -77.0 -27.04 54.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 99.99 110.837 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.42 24.65 56.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 99.99 112.47 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.8 mt -114.26 -24.98 8.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 99.99 110.954 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.91 150.22 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.085 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.32 147.17 52.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.872 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 1.3 mtt -59.83 137.95 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.828 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 99.99 110.861 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.816 0.257 . . . . 99.99 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.09 25.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 99.99 110.926 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.1 m -112.69 -52.94 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.139 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.91 47.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.113 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.31 112.69 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.134 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -88.16 99.52 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 99.99 110.942 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -136.69 108.07 6.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 99.99 110.879 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.4 p -116.66 20.32 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.149 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 t 54.88 35.65 24.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.88 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.35 72.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 99.99 110.867 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.45 148.33 52.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 99.99 110.923 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.8 m -119.51 134.41 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.112 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -82.2 123.75 29.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 99.99 111.13 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.76 131.85 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.112 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.46 131.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.137 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 142.47 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.12 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.45 -20.79 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.08 156.39 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.112 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 102.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.916 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.77 143.21 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.919 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -97.49 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.838 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.9 t -109.52 146.88 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 99.99 111.136 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.65 89.38 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.832 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.04 121.55 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.56 122.47 41.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 124.61 13.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 99.99 110.812 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.81 -46.3 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.135 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -81.81 -31.69 31.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.13 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -110.59 -177.31 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 99.99 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.86 80.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 99.99 110.871 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.2 103.6 0.78 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 99.99 110.87 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 154.04 67.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 99.99 112.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.2 t -126.49 117.36 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 99.99 111.128 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.54 -21.64 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.112 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -159.08 129.52 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.866 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.31 159.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 99.99 111.118 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.64 162.61 21.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 99.99 110.898 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.706 2.271 . . . . 99.99 112.336 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.79 -6.97 2.14 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 99.99 112.471 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.8 m -97.4 134.35 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 99.99 111.119 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.16 113.76 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.107 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -118.24 140.84 49.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 99.99 110.888 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -90.34 136.22 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.83 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.79 178.55 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.143 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.6 t -70.43 159.64 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 99.99 110.837 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.21 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.06 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.93 28.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 99.99 112.473 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.34 -49.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 99.99 111.1 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.86 -37.59 52.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.087 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.68 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.106 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.19 -39.78 53.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 99.99 110.917 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.7 mmm -56.75 -54.46 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 99.99 110.867 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -66.32 -29.41 69.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.103 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.33 -22.01 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 99.99 110.854 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -77.54 -25.65 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 99.99 110.873 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.75 17.38 70.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 99.99 112.499 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.4 mt -106.51 -24.23 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 99.99 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.99 151.49 52.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.08 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -128.12 146.03 50.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 99.99 110.867 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.4 mtp -72.1 121.25 18.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 99.99 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.961 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.758 0.232 . . . . 99.99 112.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -100.06 -24.65 14.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.899 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.3 m -93.22 -51.43 5.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.137 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.9 t 61.79 44.83 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.131 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 30.5 mm -129.81 111.78 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.157 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.02 125.02 51.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.888 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -153.34 117.52 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 99.99 110.79 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -125.27 20.41 8.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.117 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 p -149.92 69.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.833 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -160.41 81.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.933 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.17 148.96 46.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.869 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 m -120.66 134.46 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.211 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -82.11 123.88 29.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.153 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -144.94 131.87 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.069 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.45 131.71 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.19 142.6 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 99.99 111.127 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.71 -20.54 15.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.912 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.2 m -142.11 156.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.171 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 102.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.861 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -137.86 143.27 40.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 99.99 110.922 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -97.51 105.07 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 99.99 110.842 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -109.57 146.52 34.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.174 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.33 89.36 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.813 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.93 121.73 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.097 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.64 122.35 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 99.99 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 125.12 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.883 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.31 -46.4 8.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.087 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.99 -31.13 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 99.99 111.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -110.98 -177.44 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.906 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -117.83 80.53 1.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 99.99 110.905 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -165.15 103.64 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 99.99 110.833 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 154.36 67.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 99.99 112.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 t -126.77 117.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.188 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.76 -21.71 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.068 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -159.09 129.61 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 99.99 110.828 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.37 159.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 99.99 111.156 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.51 22.18 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.551 0.691 . . . . 99.99 110.969 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.5 Cg_endo -69.73 85.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 99.99 112.368 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.08 -7.17 2.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 99.99 112.472 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.8 m -97.24 134.37 40.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.791 0.329 . . . . 99.99 111.096 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.15 113.84 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 99.99 111.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -118.24 140.77 49.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.938 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -90.12 136.12 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.81 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.9 m -137.74 178.5 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.162 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.8 t -70.56 159.71 33.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 99.99 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.31 74.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 99.99 111.076 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -34.94 28.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 99.99 112.534 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.2 t -66.22 -49.85 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 99.99 111.181 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.85 -39.68 59.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 99.99 111.115 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -40.38 59.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.129 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -76.13 -42.42 46.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 99.99 110.903 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.9 mmm -56.14 -54.41 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.6 p -64.79 -29.9 70.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.092 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -75.95 -23.94 55.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 99.99 110.861 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -27.12 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.24 19.16 63.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 99.99 112.501 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.77 -25.73 11.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 99.99 110.917 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.93 151.39 51.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 99.99 111.092 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -130.1 148.59 51.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 99.99 110.795 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.1 mtt -69.75 130.45 42.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.819 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 99.99 110.931 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.787 0.245 . . . . 99.99 112.287 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.88 25.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.856 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.2 m -116.28 -41.18 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.094 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.2 t 57.48 61.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 99.99 111.136 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.4 mt -148.06 113.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.109 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.43 126.89 53.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.883 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.42 82.29 2.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.862 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 p -146.55 173.43 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.142 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.1 m -148.99 58.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.882 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -139.82 82.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.36 148.25 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.921 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -119.9 133.65 65.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.12 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.9 m -82.92 117.5 22.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.178 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.29 132.22 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.096 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.49 130.27 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.162 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 140.79 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mt -99.6 -20.74 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 99.99 110.922 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 18.8 m -140.62 155.67 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.141 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.08 103.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -138.03 143.65 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 99.99 110.968 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -97.73 104.86 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 99.99 110.913 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.5 t -109.37 144.62 37.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.174 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -105.66 89.25 3.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 99.99 110.854 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.8 -179.95 3.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.102 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 127.18 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.905 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 113.25 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.801 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.48 -46.42 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.158 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.6 p -78.53 -34.63 47.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.1 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.79 -175.68 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 99.99 110.913 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -117.76 81.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.83 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.32 102.98 0.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 99.99 110.921 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.93 62.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.773 2.316 . . . . 99.99 112.341 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.0 t -122.51 119.94 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 99.99 111.128 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.54 -22.25 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.078 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -159.08 130.19 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 99.99 110.829 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.21 158.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 99.99 111.12 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.52 162.76 20.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 99.99 110.901 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.75 86.02 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 99.99 112.398 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.33 -5.29 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 99.99 112.505 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.9 m -98.25 133.89 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 99.99 111.126 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.19 115.9 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.124 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -121.25 135.96 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.912 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -85.18 135.86 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.907 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.7 m -138.31 178.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.096 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.8 t -70.45 159.19 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 99.99 110.805 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.68 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 99.99 111.158 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -35.2 27.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 99.99 112.419 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.75 -50.69 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 99.99 111.11 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.29 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.065 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.31 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.064 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.26 -45.16 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 99.99 110.805 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 79.9 mmm -51.46 -54.37 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.9 p -65.17 -29.18 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.132 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.12 -26.31 60.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 99.99 110.919 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -24.63 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 99.99 110.9 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.06 73.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 99.99 112.486 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.8 mt -103.79 -24.15 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 99.99 110.945 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.64 147.53 50.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.102 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -124.89 151.05 45.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 99.99 110.856 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.9 mtp -76.9 113.68 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 99.99 110.844 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 99.99 110.942 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 CA--C 1.526 0.116 0 CA-C-O 120.763 0.234 . . . . 99.99 112.324 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.04 -41.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 99.99 110.869 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -113.02 -53.09 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.127 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.8 t 59.8 47.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.179 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mm -129.07 112.3 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.124 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.58 120.19 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 99.99 110.952 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -143.9 72.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.922 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.5 p -140.04 -178.21 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.138 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.5 p -141.9 67.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 99.99 110.819 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -147.98 77.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.84 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.25 146.21 40.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.88 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.5 m -119.93 134.04 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.158 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -82.22 121.95 27.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.156 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.77 130.84 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.114 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.37 131.69 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.139 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.99 138.91 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.057 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mt -95.01 -25.81 16.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 99.99 110.952 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.7 m -136.19 154.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.153 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.95 105.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 99.99 110.883 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 tp -140.42 143.39 35.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 99.99 110.95 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -95.95 105.17 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 99.99 110.858 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.4 t -109.73 148.14 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.182 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -111.72 89.19 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 99.99 110.856 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.67 112.58 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.053 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.38 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 99.99 110.926 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 127.06 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 99.99 110.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.14 -46.35 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.085 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -82.47 -32.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.17 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -108.2 -177.9 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 99.99 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.71 80.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.856 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.28 103.51 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 99.99 110.896 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.709 2.273 . . . . 99.99 112.323 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.48 118.91 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.8 -21.08 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 99.99 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -159.13 129.04 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.815 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.61 158.77 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 99.99 111.16 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.466 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.59 162.68 21.27 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.744 . . . . 99.99 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.65 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 99.99 112.307 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.9 -6.23 2.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 99.99 112.492 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.3 m -97.54 133.97 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 99.99 111.116 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.66 115.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.104 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -119.2 136.28 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 99.99 110.899 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -85.72 133.14 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 99.99 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.9 m -133.62 178.12 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.136 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.89 148.37 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 99.99 110.833 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.65 -33.82 23.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 99.99 111.118 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.17 -28.86 47.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 99.99 112.467 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.4 -48.93 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 99.99 111.141 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.19 -37.76 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.072 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.57 -41.96 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.105 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.14 -45.95 31.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.875 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.9 mmm -50.49 -54.36 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.918 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.4 p -65.11 -29.14 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -73.36 -24.85 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.937 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.18 54.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 99.99 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.67 19.13 74.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 99.99 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.2 mt -107.14 -24.55 11.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.798 0.332 . . . . 99.99 110.978 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.95 154.06 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.083 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -134.25 145.62 49.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 99.99 110.818 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.5 mtt -63.64 145.9 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 99.99 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.918 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.848 0.27 . . . . 99.99 112.318 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.57 -38.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 99.99 110.896 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.0 m -113.14 -53.1 2.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.141 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.98 47.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 99.99 111.099 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.44 118.08 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.099 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tt -121.27 107.38 12.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 99.99 110.887 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -140.2 51.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 99.99 110.852 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.2 p -141.26 -179.89 6.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.186 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.64 48.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 99.99 110.811 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -111.2 63.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.85 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.58 137.14 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 99.99 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -106.93 133.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.065 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.5 m -84.36 121.32 27.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.119 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.37 132.93 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 99.99 111.15 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.41 132.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.148 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.14 143.84 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.3 mt -100.17 -22.11 15.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 99.99 110.939 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 m -142.36 157.11 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.099 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.02 102.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 99.99 110.861 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.2 tp -138.05 142.8 40.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 99.99 110.927 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -96.74 105.24 17.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.867 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.8 t -110.06 147.57 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.082 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -111.01 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.849 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.8 113.25 14.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.108 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.18 122.58 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.9 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 126.57 18.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.834 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.94 -46.12 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.065 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -37.3 25.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 99.99 111.142 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -103.55 -177.77 3.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.842 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.84 80.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.859 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.13 104.0 0.78 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 99.99 110.915 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 154.27 68.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 99.99 112.35 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.1 t -126.22 120.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.069 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.57 -22.22 8.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.07 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -159.05 128.93 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 99.99 110.84 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -115.1 158.91 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.136 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.69 162.77 20.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 99.99 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.73 85.16 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.711 2.274 . . . . 99.99 112.298 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.16 -7.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 99.99 112.461 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.1 m -97.21 134.42 40.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 99.99 111.112 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.04 114.18 25.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -117.5 141.02 48.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.845 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -89.05 136.71 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.917 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 30.5 m -137.63 177.31 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.191 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.73 146.79 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 99.99 110.823 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.02 -33.73 26.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.089 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.05 -27.09 54.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 99.99 112.552 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.86 -48.5 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.317 . . . . 99.99 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.2 51.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.132 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.48 61.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.038 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.06 -43.0 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 99.99 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.4 mmm -53.04 -54.35 36.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 99.99 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.1 p -66.0 -29.43 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 99.99 111.101 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -22.87 58.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 99.99 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -77.03 -25.26 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.86 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.02 23.19 61.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 99.99 112.394 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.2 mt -112.2 -24.65 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.877 0.37 . . . . 99.99 110.941 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.97 158.46 38.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.12 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.07 142.89 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.869 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.1 mtt -62.6 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 99.99 110.953 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.755 0.231 . . . . 99.99 112.349 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.61 -25.08 14.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 99.99 110.855 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.8 m -98.23 -38.55 9.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 99.99 111.202 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t 58.12 60.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.125 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.3 mt -148.77 110.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.107 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.05 118.43 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 99.99 110.929 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.06 88.77 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 99.99 110.85 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 p -142.04 165.77 26.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.161 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -129.23 58.02 1.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 99.99 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -136.31 73.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 99.99 110.949 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.38 132.98 37.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 99.99 110.87 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 m -101.5 134.71 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.18 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 m -84.28 121.11 27.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 99.99 111.057 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 p -140.36 132.55 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.11 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.44 132.18 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 99.99 111.111 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.98 143.94 52.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.155 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.1 mt -100.76 -21.58 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.943 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.46 157.3 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 99.99 111.167 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.9 tp -137.65 143.38 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.959 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -97.16 105.18 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.81 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.2 t -109.81 147.84 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.185 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -111.43 89.23 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 99.99 110.936 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.26 112.58 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 99.99 111.063 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.59 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 127.06 19.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.836 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.04 -46.36 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.119 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.52 -31.83 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.078 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -109.54 -177.79 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.69 80.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.826 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -165.29 103.56 0.77 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.725 0.774 . . . . 99.99 110.887 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 154.29 67.75 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.66 2.24 . . . . 99.99 112.33 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.02 120.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.03 -21.65 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 99.99 111.095 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -159.02 129.37 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 99.99 110.949 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.17 158.86 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.11 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.47 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.55 22.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 99.99 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.72 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 99.99 112.322 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.31 -7.46 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 99.99 112.423 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.8 m -97.07 134.55 40.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 99.99 111.097 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.44 113.88 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.103 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -117.37 136.19 53.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 99.99 110.905 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -86.02 133.26 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 99.99 110.839 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.5 m -133.29 178.05 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.153 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.57 148.12 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 99.99 110.809 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.57 -35.38 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 99.99 111.048 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -27.04 53.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 99.99 112.465 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.45 -48.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 99.99 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.09 -41.09 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.156 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.26 -39.62 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.2 -43.7 41.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.863 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 86.6 mmm -54.31 -54.51 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.1 p -63.99 -29.4 70.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.144 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.06 -24.42 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 99.99 110.928 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -76.67 -26.19 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 99.99 110.911 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.37 28.06 49.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 99.99 112.531 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 mt -116.64 -26.35 7.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 99.99 110.876 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.68 153.66 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.066 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 ttt-85 -133.32 142.17 48.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 99.99 110.877 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.12 137.83 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 99.99 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 99.99 110.875 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.754 0.231 . . . . 99.99 112.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.41 -68.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 99.99 110.836 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.2 m -92.38 -55.7 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.149 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 t 60.22 39.13 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.122 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.5 mm -120.59 114.54 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.125 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.29 102.37 8.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 99.99 110.872 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -120.03 86.6 2.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 99.99 110.866 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -137.46 175.56 9.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.155 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -138.75 60.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 99.99 110.902 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -122.8 70.61 1.01 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 99.99 110.888 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.41 147.06 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.8 m -120.13 134.13 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 99.99 111.162 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 m -82.68 122.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 99.99 111.159 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -143.16 131.49 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.33 132.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.16 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.45 144.82 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.096 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.55 -20.93 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 99.99 110.857 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.14 156.04 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 99.99 111.111 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.95 102.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 99.99 110.888 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 tp -137.18 143.19 42.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.901 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -96.62 105.21 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 99.99 110.863 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.4 t -110.49 147.23 34.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 99.99 111.086 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -111.0 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.873 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.3 112.58 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 122.54 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 99.99 110.942 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 126.9 18.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 99.99 110.918 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.99 -46.23 7.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.05 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 t -82.63 -31.77 28.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.151 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -109.56 -177.81 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 99.99 110.826 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.63 80.41 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 99.99 110.862 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -165.27 103.69 0.77 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 99.99 110.845 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.9 154.32 67.3 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 99.99 112.332 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.01 120.19 54.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.11 -21.87 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.08 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.55 129.47 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.827 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.54 158.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.42 162.75 20.75 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.714 . . . . 99.99 110.912 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.52 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 99.99 112.266 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.71 -6.85 2.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 99.99 112.51 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.0 m -97.16 133.57 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 99.99 111.149 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.75 115.66 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.116 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -119.3 141.76 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -90.04 135.51 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 99.99 110.886 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.91 178.23 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.128 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.37 147.34 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.07 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.066 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.01 -28.52 49.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 99.99 112.473 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.8 t -76.55 -47.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 99.99 111.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.86 -36.81 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 99.99 111.073 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -42.94 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.12 -45.54 33.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.929 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.3 mmm -51.13 -48.71 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.5 p -75.63 -29.39 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -22.36 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 99.99 110.931 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -22.92 31.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 99.99 110.837 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.71 16.36 75.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 99.99 112.48 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.3 mt -99.19 -24.54 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 99.99 110.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.4 151.15 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.102 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -129.95 148.55 51.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 99.99 110.869 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.0 mtt -68.07 130.97 44.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 99.99 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 99.99 110.918 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.8 0.25 . . . . 99.99 112.316 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.82 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.847 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 96.0 m -123.23 -41.9 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.195 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.6 t 57.38 62.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.115 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.4 mt -148.04 119.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.172 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.75 116.72 32.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.909 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -133.07 80.76 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 99.99 110.866 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 p -134.22 -178.34 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.133 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.0 m -144.65 62.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.849 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -139.58 72.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 99.99 110.876 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.21 144.35 46.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.928 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 m -122.18 135.43 62.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.153 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -85.53 114.98 22.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 99.99 111.175 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.05 135.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 99.99 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -111.77 130.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.084 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.96 141.85 52.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.171 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mt -100.08 -20.49 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 99.99 110.924 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.12 155.85 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.21 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -53.14 103.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.927 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -139.19 141.58 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 99.99 110.894 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -96.29 104.99 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.817 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.6 t -109.51 144.69 37.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.17 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -105.75 89.29 3.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 99.99 110.848 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -117.5 -179.93 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 99.99 111.144 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.68 127.02 9.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 99.99 110.932 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 99.99 110.86 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.41 -46.42 16.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -37.55 40.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.127 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -107.14 -175.97 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 99.99 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.88 81.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.855 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -164.3 103.83 0.87 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 99.99 110.909 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 155.7 65.55 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.614 2.209 . . . . 99.99 112.4 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.4 t -120.27 120.46 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 99.99 111.097 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.15 -22.5 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.042 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -158.95 129.83 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.921 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.58 158.16 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.18 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.474 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.83 20.52 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 99.99 110.944 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.75 85.64 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.766 2.311 . . . . 99.99 112.254 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.88 -5.78 2.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 99.99 112.508 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.6 m -98.04 134.96 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 99.99 111.115 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.1 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.084 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -121.46 136.49 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 99.99 110.926 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -84.94 135.02 34.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 99.99 110.885 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 30.5 m -137.44 170.8 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.139 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 144.78 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 99.99 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.56 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -29.46 45.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 99.99 112.515 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.14 -48.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 99.99 111.02 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.88 -37.31 51.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.085 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.131 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.27 -42.77 44.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 99.99 110.838 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.2 mmm -53.94 -54.51 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 99.99 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -64.45 -29.36 70.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.108 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -75.81 -23.57 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.843 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -76.11 -25.7 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.896 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 99.99 112.521 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.5 mt -114.48 -25.04 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 99.99 110.94 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -133.34 149.65 51.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.56 145.74 50.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 99.99 110.933 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -59.43 138.51 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.855 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.873 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.191 0 CA-C-O 120.729 0.221 . . . . 99.99 112.396 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.28 25.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.916 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.5 m -113.31 -40.95 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.143 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t 57.68 61.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.082 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.9 mt -148.12 119.74 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.126 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.45 120.19 21.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.912 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -132.71 103.38 6.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 99.99 110.886 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.2 p -112.69 19.69 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.164 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.28 34.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 99.99 110.77 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.41 56.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 99.99 110.879 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.12 147.65 34.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.942 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.4 m -118.87 134.3 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.076 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.5 m -82.13 120.71 25.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.115 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.3 t -140.72 130.84 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.153 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.34 130.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.155 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.01 142.78 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.106 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mt -101.41 -20.01 15.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.949 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -142.19 155.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.171 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 102.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.873 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -138.15 142.98 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -97.43 105.07 17.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.856 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -109.52 147.04 33.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 99.99 111.12 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.78 89.25 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.898 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.97 121.79 27.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 99.99 111.055 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.45 42.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 99.99 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 124.31 13.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.895 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.57 -46.16 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 99.99 111.128 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 m -81.77 -32.58 31.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.122 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -109.63 -177.36 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -117.83 80.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.94 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.09 103.54 0.78 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.603 0.716 . . . . 99.99 110.906 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 154.54 67.54 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.719 2.279 . . . . 99.99 112.358 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.13 117.29 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.55 -21.8 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -158.99 129.6 5.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.881 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.38 158.83 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.175 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.53 162.67 21.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 99.99 110.942 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.77 86.33 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.68 2.253 . . . . 99.99 112.321 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.84 -5.98 2.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 99.99 112.482 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 96.1 m -98.27 134.15 41.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 99.99 111.092 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.46 114.0 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.09 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -118.31 137.44 53.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 99.99 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -87.64 135.49 33.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 99.99 110.843 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.3 m -137.1 178.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.121 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.9 t -70.89 159.4 34.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 99.99 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.29 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.059 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.19 -35.32 27.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 99.99 112.48 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.78 -50.04 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 99.99 111.124 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.94 -41.88 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 99.99 111.167 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.54 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.077 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.03 -48.96 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 99.99 110.885 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 66.8 mmm -52.06 -54.4 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.911 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.7 p -64.43 -31.49 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 99.99 111.158 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -69.95 -24.69 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 99.99 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.36 -27.33 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 99.99 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.47 21.36 54.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 99.99 112.522 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 mt -107.6 -30.59 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 99.99 110.914 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.82 151.72 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 99.99 111.094 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -124.53 127.18 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 99.99 110.84 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 11.5 mtp -51.64 135.17 29.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.893 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.205 0 CA-C-O 120.841 0.267 . . . . 99.99 112.317 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.57 -38.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.811 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -113.11 -53.04 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.17 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.8 t 59.89 47.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 99.99 111.191 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mm -129.27 118.35 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 99.99 111.11 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 129.05 56.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.896 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -156.2 116.08 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 99.99 110.819 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.4 p -118.47 20.19 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.16 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.94 33.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 99.99 110.823 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -130.45 65.17 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.37 148.53 41.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 99.99 110.886 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 m -120.65 133.76 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.167 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.9 m -82.39 124.05 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 99.99 111.155 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.67 132.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 99.99 111.124 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.28 132.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.133 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.58 144.94 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 99.99 111.071 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.5 mt -103.23 -18.36 14.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.925 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.5 m -143.74 155.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.088 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.23 102.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 99.99 110.914 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 tp -137.96 140.97 40.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.923 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -95.45 105.17 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 99.99 110.923 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.4 t -110.21 145.72 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.186 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.45 89.37 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.828 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.84 115.91 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 99.99 111.145 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.39 122.49 34.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 99.99 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 125.69 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 99.99 110.859 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.78 -46.13 8.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.05 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -39.95 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.136 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -177.77 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 99.99 110.922 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.82 80.1 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.885 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.2 103.94 0.78 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 99.99 110.851 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.69 2.26 . . . . 99.99 112.299 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.4 t -125.9 120.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.125 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.26 -21.79 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.141 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -159.06 128.87 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 99.99 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.71 158.14 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.12 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.51 162.83 20.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 99.99 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.77 84.52 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.213 . . . . 99.99 112.372 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.12 -7.95 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 99.99 112.482 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.4 m -96.59 134.01 40.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 99.99 111.171 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.6 115.89 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.156 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -120.01 142.64 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 99.99 110.902 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -91.05 136.08 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 99.99 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.9 178.37 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.129 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.3 t -70.61 159.29 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.926 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.11 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 99.99 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.22 27.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.774 . . . . 99.99 112.421 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.85 -50.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.328 . . . . 99.99 111.109 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.79 -38.01 53.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.02 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.65 -43.4 62.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.31 -0.405 . . . . 99.99 111.065 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.28 -36.95 58.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 78.5 mmm -59.16 -54.47 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -66.53 -29.33 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.186 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -77.26 -22.26 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 99.99 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -76.91 -25.26 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.25 74.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 99.99 112.5 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.54 -24.4 13.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 99.99 110.9 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.54 155.36 47.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.126 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -131.71 143.46 50.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.878 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 mtp -72.25 127.17 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 99.99 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 99.99 110.949 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.872 0.28 . . . . 99.99 112.348 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.91 -40.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.865 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.9 m -112.98 -53.03 2.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.152 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.82 47.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 99.99 111.155 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.09 131.46 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.14 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.57 114.33 6.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 99.99 110.895 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -121.49 87.97 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.82 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.5 p -137.75 148.49 45.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.128 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 m 53.76 56.3 7.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.805 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.98 80.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 99.99 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -78.02 148.0 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.859 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 m -118.97 134.21 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 99.99 111.123 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 m -82.42 122.65 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.157 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.48 134.0 25.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.151 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.0 p -112.63 130.89 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 99.99 111.109 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.56 154.28 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.064 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mt -110.82 -11.72 14.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.946 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.6 159.95 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 99.99 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -53.38 104.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.924 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -137.17 144.22 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 99.99 110.945 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -96.95 105.19 17.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.813 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.6 t -116.31 146.93 42.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.148 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -114.17 89.21 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 99.99 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.72 112.94 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.09 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.64 122.55 32.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 99.99 110.886 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 127.02 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 99.99 110.86 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.97 -46.21 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.171 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 t -82.82 -31.32 28.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.195 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -109.82 -177.84 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 99.99 110.898 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.67 80.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 99.99 110.825 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.2 103.8 0.78 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 99.99 110.907 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.89 55.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 99.99 112.373 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.17 131.77 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.16 -33.31 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.141 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -152.16 126.31 9.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 99.99 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.7 m -105.94 151.51 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.131 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.422 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 0.6 OUTLIER -113.32 165.81 12.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.584 0.707 . . . . 99.99 110.959 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.82 91.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.639 2.226 . . . . 99.99 112.362 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.35 -0.54 3.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 99.99 112.506 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 42.0 m -105.05 135.41 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 99.99 111.172 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.18 115.66 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 99.99 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -120.24 142.57 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 99.99 110.936 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -92.76 135.1 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 99.99 110.926 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.3 m -137.21 178.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.119 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.1 t -69.94 159.83 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 99.99 110.81 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 99.99 111.136 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.07 -35.53 27.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 99.99 112.575 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.8 t -65.56 -50.07 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 99.99 111.166 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.98 -36.75 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.123 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.31 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 99.99 111.146 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.18 -46.06 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 99.99 110.871 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 75.9 mmm -51.35 -52.7 43.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.828 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -69.54 -29.29 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.111 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.48 -24.78 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -22.87 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 99.99 110.874 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.01 -2.63 87.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 99.99 112.511 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.8 mt -77.03 -23.38 52.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 99.99 110.902 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -139.16 151.39 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 99.99 111.16 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.09 144.0 51.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.807 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.0 mtt -68.62 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.961 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.693 0.205 . . . . 99.99 112.369 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.68 -40.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 99.99 110.799 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.1 m -113.16 -53.14 2.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.055 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.93 47.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.4 mm -129.31 124.77 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.119 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 102.87 3.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 99.99 110.908 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -129.72 37.37 3.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 99.99 110.825 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.1 p -148.31 179.03 8.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.167 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.4 t -152.58 71.49 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.836 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -129.65 76.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.863 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 150.06 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.91 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 m -130.59 136.36 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 99.99 111.17 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -84.06 120.72 26.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.151 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.9 t -140.36 132.0 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 99.99 111.129 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.71 132.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.101 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.36 137.58 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.126 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.7 mt -93.2 -28.03 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 28.3 m -134.48 154.63 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.119 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.94 106.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.957 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.2 tp -142.01 143.25 33.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 99.99 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -95.79 104.99 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.893 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -109.7 142.95 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.134 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.44 89.06 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.875 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.95 121.1 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.194 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.74 122.21 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 99.99 110.912 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 123.28 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 99.99 110.853 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.45 -46.13 8.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.146 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -81.92 -36.86 27.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.177 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -104.46 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 99.99 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.98 80.43 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 99.99 110.878 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.44 102.88 0.76 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.676 0.75 . . . . 99.99 110.953 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 155.19 66.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 99.99 112.292 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.3 t -128.57 118.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.179 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.06 -22.32 9.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.057 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -158.36 129.78 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.898 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.82 159.01 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 99.99 111.096 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.5 mm? -113.65 162.59 21.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.536 0.684 . . . . 99.99 110.914 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.2 Cg_endo -69.74 87.67 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 99.99 112.336 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.01 -3.48 2.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 99.99 112.486 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.0 m -99.61 134.97 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 99.99 111.164 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 111.85 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.186 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -116.06 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.911 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -84.98 135.34 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.859 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 26.7 m -136.28 177.47 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.065 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.2 t -70.43 158.97 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 99.99 110.813 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.48 73.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 99.99 111.07 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -35.88 25.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 99.99 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 -49.47 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 99.99 111.128 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.88 -43.08 63.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 99.99 111.048 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.19 58.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 99.99 111.109 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.18 -51.18 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.876 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 65.3 mmm -52.85 -54.39 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -61.87 -29.74 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.099 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.76 -23.03 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.85 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -28.74 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 99.99 110.893 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.59 57.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 99.99 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.4 mt -105.27 -25.67 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 99.99 110.862 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.83 151.21 49.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.11 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -124.61 127.41 47.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.894 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 11.5 mtp -51.61 135.54 28.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.898 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.928 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.773 0.239 . . . . 99.99 112.332 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.05 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.282 -0.417 . . . . 99.99 110.894 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.9 m -123.43 -41.68 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.105 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.7 t 57.36 62.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.105 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.2 mt -148.35 110.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.081 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.34 121.4 29.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.969 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -161.8 116.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 99.99 110.799 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -112.06 19.43 17.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.087 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m 52.69 77.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 99.99 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.57 82.55 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.878 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.05 148.58 51.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 99.99 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.8 m -122.86 133.6 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 99.99 111.121 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -81.31 123.42 28.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.133 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.49 130.9 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.139 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.66 132.22 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.193 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.51 144.65 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 99.99 111.128 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mt -101.55 -20.84 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 99.99 110.908 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.4 m -142.78 157.04 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.121 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.1 102.32 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 99.99 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 tp -137.61 143.5 41.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.958 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.04 105.0 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 99.99 110.93 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -110.32 148.39 32.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.115 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -113.59 88.61 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.815 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.6 113.22 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -89.83 141.39 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.867 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 132.54 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.796 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.25 -46.06 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 99.99 111.132 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -37.52 19.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.194 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -101.13 -177.5 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -118.08 79.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.3 mt-10 -165.11 103.36 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 99.99 110.884 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.435 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 54.0 Cg_endo -69.82 172.69 12.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.636 2.224 . . . . 99.99 112.327 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.51 124.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.93 -20.94 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 99.99 111.084 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -159.16 129.84 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.871 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.67 158.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 99.99 111.133 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.472 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.66 21.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.665 0.745 . . . . 99.99 110.901 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.716 2.278 . . . . 99.99 112.33 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.53 -7.53 2.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 99.99 112.466 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.3 m -96.57 133.45 41.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 99.99 111.14 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 114.9 26.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.129 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -119.0 135.89 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 99.99 110.853 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -85.04 135.36 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.918 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.4 m -134.9 178.2 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.126 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.8 149.23 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 99.99 110.827 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.38 -36.46 32.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 99.99 111.154 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.2 -27.31 52.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 99.99 112.472 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.62 -49.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.786 0.327 . . . . 99.99 111.113 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.11 -38.01 55.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.106 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.89 61.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 99.99 111.126 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.96 -44.89 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 99.99 110.911 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.6 mmm -52.0 -54.39 30.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.1 p -65.31 -30.91 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 99.99 111.148 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.35 -23.95 62.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -75.95 -25.98 56.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.882 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.07 21.64 64.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 99.99 112.474 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.6 mt -110.79 -25.32 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 99.99 110.889 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.91 154.9 45.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.11 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -134.35 147.04 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.2 mtt -65.75 143.61 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 99.99 110.811 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.855 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.775 0.24 . . . . 99.99 112.394 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -174.38 -68.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.873 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 89.8 m -92.36 -55.85 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.069 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 t 60.11 39.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 99.99 111.057 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.4 mm -120.28 109.62 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.139 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.74 125.23 28.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.866 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.99 125.39 39.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 99.99 110.82 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -130.7 19.57 5.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.187 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 p -147.86 53.78 1.04 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.895 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.82 81.72 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 99.99 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.43 141.02 57.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.36 137.41 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.16 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.5 m -83.66 121.25 27.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.134 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.16 134.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.112 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -112.29 131.39 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 99.99 111.144 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 144.58 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.138 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.81 -19.6 14.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.842 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 m -142.07 155.82 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 99.99 111.113 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.07 102.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 99.99 110.925 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -138.02 142.8 40.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 99.99 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -97.02 105.11 17.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.836 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 t -109.72 143.59 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.113 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.77 89.4 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.875 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.56 120.77 24.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 99.99 111.133 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 122.22 41.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 99.99 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.32 126.91 20.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 99.99 110.912 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.05 -46.61 7.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 99.99 111.129 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 t -82.51 -30.09 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.15 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -111.31 -178.02 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.7 80.51 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.905 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.53 104.02 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.664 0.745 . . . . 99.99 110.837 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.36 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 99.99 112.361 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -127.61 112.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 99.99 111.181 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.04 -21.18 12.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.029 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -159.19 129.48 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 99.99 110.82 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.8 158.37 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 99.99 111.124 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.63 162.61 21.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 99.99 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.4 Cg_endo -69.76 86.29 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.669 2.246 . . . . 99.99 112.37 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.22 -5.34 2.41 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.693 -0.765 . . . . 99.99 112.482 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.5 m -98.08 134.84 40.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 99.99 111.123 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.61 114.87 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.073 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -120.22 141.42 49.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 99.99 110.935 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -91.15 136.04 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 99.99 110.845 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.92 172.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 99.99 111.129 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.5 t -62.8 158.45 18.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 99.99 110.833 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.55 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.129 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.24 -37.54 21.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 99.99 112.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.55 -49.06 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 99.99 111.165 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.9 -37.94 54.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.089 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -41.97 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.111 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.26 -44.71 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 99.99 110.88 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.5 mmm -51.74 -54.49 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.947 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.1 p -67.35 -29.33 68.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.141 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -73.04 -24.09 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.882 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -26.02 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 99.99 110.862 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.34 19.14 65.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 99.99 112.561 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.7 mt -104.99 -25.25 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 99.99 110.925 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.8 150.0 52.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.048 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -128.42 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.806 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.51 140.71 58.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 99.99 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.941 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.762 0.234 . . . . 99.99 112.398 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.94 -41.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 99.99 110.892 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.4 m -122.86 -41.8 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.161 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.2 t 57.35 62.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.149 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.1 mt -148.1 121.36 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.169 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.54 127.45 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 99.99 110.945 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -130.28 47.92 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 99.99 110.853 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -147.29 143.96 28.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.126 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m -91.56 -76.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 99.99 110.852 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 53.25 89.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 99.99 110.862 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.4 148.16 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 99.99 110.898 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -127.91 135.93 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.126 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.1 m -83.82 116.72 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 99.99 111.205 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.49 134.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.179 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.95 130.56 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.145 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.24 140.56 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 99.99 111.055 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mt -99.24 -21.68 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 99.99 110.96 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.2 m -140.09 155.71 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.166 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.94 103.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 99.99 110.904 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.9 tp -138.38 143.71 39.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 99.99 110.935 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.74 104.77 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 99.99 110.888 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.3 t -109.61 144.19 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.115 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -105.08 89.28 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.861 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.96 179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 99.99 111.069 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.67 126.76 9.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 99.99 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 117.07 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.84 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.51 -46.52 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.064 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -79.86 -27.46 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.117 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -117.84 -176.09 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 99.99 110.835 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -117.75 81.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.67 103.27 0.83 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 99.99 110.94 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.87 67.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 99.99 112.322 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.3 t -119.45 121.62 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 99.99 111.092 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.25 -22.86 8.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 99.99 111.097 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.52 130.21 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.39 159.14 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 99.99 111.162 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.466 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.64 21.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.683 . . . . 99.99 110.909 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.75 86.01 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.688 2.258 . . . . 99.99 112.359 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.56 -5.96 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 99.99 112.467 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.9 m -97.66 134.06 41.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 99.99 111.109 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.12 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -121.31 136.08 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 99.99 110.923 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -84.82 134.43 34.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 99.99 110.894 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.56 172.46 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.137 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.69 145.89 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.854 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.15 -30.47 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 99.99 111.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.8 37.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 99.99 112.529 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.77 -48.58 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 99.99 111.134 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.71 -36.78 48.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.138 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.74 62.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 99.99 111.044 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -44.88 36.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.848 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 80.6 mmm -51.62 -54.33 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.836 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.5 p -68.92 -30.63 69.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.123 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.66 -14.18 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 99.99 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -22.54 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 99.99 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.73 29.32 52.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 99.99 112.49 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 19.3 mt -115.03 -23.8 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 99.99 110.953 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.96 149.57 50.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 99.99 111.066 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.41 146.98 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.868 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.72 128.32 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.906 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.864 0.277 . . . . 99.99 112.353 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.75 -25.43 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.909 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.5 m -100.41 -39.18 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.045 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.9 t 58.31 60.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 99.99 111.101 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.3 mt -148.31 130.17 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 99.99 111.113 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.57 125.28 48.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.924 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -146.66 52.35 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 99.99 110.901 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 48.9 p -142.36 130.37 21.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.117 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.4 t -101.34 -76.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 99.99 110.853 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.78 93.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.46 147.5 26.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.816 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.2 m -127.66 135.09 64.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 99.99 111.135 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -82.57 122.78 28.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 99.99 111.149 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 p -143.57 132.18 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.108 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -111.19 132.26 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.099 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.54 146.3 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.02 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.15 -21.53 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 99.99 110.856 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.0 m -141.65 156.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 99.99 111.132 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.96 102.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 99.99 110.824 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.07 143.36 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.914 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -96.78 105.28 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.809 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.4 t -110.64 146.81 35.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 99.99 111.146 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 89.34 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 99.99 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.39 113.09 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.12 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.32 122.52 33.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 99.99 110.954 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 126.91 18.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 99.99 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.91 -46.21 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 99.99 111.096 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -82.59 -32.46 28.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 99.99 111.141 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -108.71 -177.81 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 99.99 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -117.74 80.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.871 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.22 103.66 0.77 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 99.99 110.862 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.54 67.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 99.99 112.312 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.6 t -127.23 120.4 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.149 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.37 -21.8 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.127 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -158.42 129.78 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 99.99 110.921 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.57 157.87 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.117 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.462 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.43 162.7 20.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.622 0.725 . . . . 99.99 110.964 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.86 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.716 2.277 . . . . 99.99 112.368 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.48 -5.78 2.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 99.99 112.487 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.6 m -97.6 134.47 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 99.99 111.153 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.36 115.8 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.069 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -119.53 136.32 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.942 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -86.32 131.9 34.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.832 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.1 m -132.03 175.08 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.099 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 148.21 46.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.497 . . . . 99.99 110.863 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.58 -35.62 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 99.99 111.044 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -27.05 53.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.814 -0.708 . . . . 99.99 112.447 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.96 -49.1 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 99.99 111.072 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.98 -38.09 55.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.131 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -41.79 60.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 99.99 111.125 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.1 -43.71 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.933 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.7 mmm -52.84 -54.48 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.861 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.7 p -66.03 -29.25 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.16 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.77 -23.41 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 99.99 110.944 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.91 -30.38 56.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.69 24.26 43.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 99.99 112.45 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.8 mt -114.09 -25.35 8.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 99.99 110.895 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.33 152.39 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.125 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.59 145.42 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.877 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.7 mtt -59.51 130.99 49.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.849 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 99.99 110.929 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.852 0.271 . . . . 99.99 112.375 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.67 -43.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.843 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.4 m -113.81 -53.02 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.127 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.24 47.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 99.99 111.147 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.4 mm -127.82 101.52 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 99.99 111.086 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.31 118.24 15.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 99.99 110.9 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -141.11 26.25 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 99.99 110.901 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.9 p -145.47 158.0 43.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.485 . . . . 99.99 111.132 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 p -119.75 -76.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.807 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 53.84 90.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 99.99 110.892 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.23 150.54 3.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.473 . . . . 99.99 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.43 135.15 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.074 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -81.53 125.21 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.155 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -147.35 131.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.095 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.86 131.63 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.42 142.38 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.097 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -99.98 -21.45 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 99.99 110.944 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -141.53 156.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 99.99 111.111 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.04 102.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.937 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.1 tp -137.86 143.17 40.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 99.99 110.924 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -97.24 105.01 17.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.911 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -109.52 146.64 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 99.99 111.134 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -109.55 89.39 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 99.99 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.01 122.05 27.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 99.99 111.124 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.46 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 99.99 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.36 124.54 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 99.99 110.864 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.84 -46.26 8.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.1 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.91 -31.59 31.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.076 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.54 -177.28 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 99.99 110.861 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.94 80.57 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 99.99 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.15 103.52 0.78 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.616 0.722 . . . . 99.99 110.879 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 154.37 68.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.679 2.253 . . . . 99.99 112.344 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 t -126.75 118.61 51.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.59 -22.04 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 99.99 111.081 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -158.91 129.31 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 99.99 110.924 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.03 159.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 99.99 111.122 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.58 162.6 21.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 99.99 110.948 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.55 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 99.99 112.377 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.1 -7.26 2.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.732 . . . . 99.99 112.498 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -97.48 133.23 42.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.805 0.336 . . . . 99.99 111.144 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 114.8 26.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.099 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -118.48 138.94 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 99.99 110.884 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -88.68 133.25 34.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.847 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.42 177.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.157 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.4 t -70.7 158.77 35.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.852 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.08 72.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.066 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.23 -35.28 27.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 99.99 112.447 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.51 -50.36 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 99.99 111.153 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.28 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.1 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.64 -42.03 61.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 99.99 111.137 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.36 -42.52 44.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 99.99 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 83.5 mmm -54.25 -54.49 39.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.9 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 99.99 111.174 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.45 -23.16 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 99.99 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -79.14 -26.38 42.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 99.99 110.805 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.85 67.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 99.99 112.454 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.3 mt -104.49 -25.12 12.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 99.99 110.871 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.96 149.4 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.105 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.86 148.31 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.854 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.5 mtt -67.9 127.19 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 99.99 110.902 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 120.792 0.247 . . . . 99.99 112.315 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.12 25.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 99.99 110.928 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -112.41 -52.94 2.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 99.99 111.193 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.61 47.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.143 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.6 mm -128.73 127.58 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.127 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -117.1 113.57 22.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.951 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.62 90.68 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.844 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.1 p -150.7 164.95 34.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.133 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -132.83 63.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.857 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -129.66 58.54 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 99.99 110.904 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.45 149.77 47.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 99.99 110.959 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 m -132.98 136.91 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.076 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.9 m -84.99 126.72 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 99.99 111.17 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.2 p -147.47 133.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.108 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 p -111.53 132.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.1 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 146.56 51.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 99.99 111.105 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.08 -25.81 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.915 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.15 157.09 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.195 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -52.88 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.6 tp -139.97 143.01 36.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 99.99 110.934 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -95.69 104.94 16.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 99.99 110.839 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.2 t -111.36 142.03 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 99.99 111.21 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -109.71 88.26 2.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.1 112.0 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 99.99 111.138 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HG ' ' HA ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -89.79 138.57 31.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.917 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 124.21 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 99.99 110.873 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.67 -46.19 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.088 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.0 p -84.72 -43.87 13.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.211 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.9 -176.85 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 99.99 110.873 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -118.45 80.2 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.858 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -165.56 102.0 0.75 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.634 0.73 . . . . 99.99 110.889 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.7 171.42 14.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 99.99 112.341 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -145.32 130.75 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.79 -32.01 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -149.86 131.25 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 99.99 110.921 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.21 157.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.121 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.79 20.68 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 99.99 110.899 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.81 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 99.99 112.335 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.37 -4.9 2.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.772 . . . . 99.99 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.1 m -98.07 134.89 40.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 99.99 111.131 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.7 115.04 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.088 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -118.67 135.27 54.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.828 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -86.1 132.43 34.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 99.99 110.829 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.0 m -132.79 177.44 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 99.99 111.162 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 t -71.02 158.78 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 99.99 110.868 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.76 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 99.99 111.084 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.42 -34.9 27.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 99.99 112.519 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.0 t -65.42 -49.99 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 99.99 111.115 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.74 -36.98 49.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.096 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.49 62.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -76.34 -43.57 40.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.872 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mmm -51.9 -54.39 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 99.99 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.2 p -65.56 -29.41 70.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 99.99 111.12 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.76 -23.15 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 99.99 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -27.63 54.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 99.99 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.9 64.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 99.99 112.454 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.5 mt -107.26 -24.5 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 99.99 110.864 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.17 151.39 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.077 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -133.47 142.3 48.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 99.99 110.892 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -56.77 130.12 44.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.87 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.92 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.781 0.242 . . . . 99.99 112.345 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.03 -41.11 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.868 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m -113.11 -53.07 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 99.99 111.185 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.8 t 59.85 47.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.165 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.8 mm -129.18 126.96 65.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.15 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.44 112.27 22.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.878 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -130.95 92.22 3.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.939 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p -117.35 170.7 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.185 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 m 56.81 54.34 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 99.99 110.826 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -144.0 79.8 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 99.99 110.815 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.26 145.4 53.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 99.99 110.879 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.3 m -140.32 136.6 36.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 99.99 111.15 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -84.02 125.05 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 99.99 111.103 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 p -145.63 133.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.095 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.31 132.11 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 99.99 111.066 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.0 147.1 50.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 99.99 111.086 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.19 -24.49 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 99.99 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 m -138.99 156.39 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.134 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -53.04 103.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.834 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 tp -139.17 141.25 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.871 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -94.72 105.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.826 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.0 t -111.19 145.26 38.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.127 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -111.02 88.43 2.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 99.99 110.838 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.82 112.96 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 99.99 111.114 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HG ' ' HA ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -89.9 139.9 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.893 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 124.77 22.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.891 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.81 -45.74 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 99.99 111.056 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.3 m -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.11 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -97.35 -176.44 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 99.99 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -118.2 80.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.852 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -165.27 102.78 0.77 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 99.99 110.893 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.75 171.76 13.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 99.99 112.357 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -144.88 125.38 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 99.99 111.15 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.3 -21.77 6.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.086 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -159.12 129.35 5.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 99.99 110.842 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.1 158.0 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 99.99 111.151 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.472 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.1 mm? -113.53 162.81 20.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.571 0.7 . . . . 99.99 110.905 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.1 Cg_endo -69.83 86.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.644 2.229 . . . . 99.99 112.321 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.1 -4.9 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.725 . . . . 99.99 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 87.7 m -98.7 134.79 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 99.99 111.179 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.8 115.01 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.077 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -118.9 135.23 54.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 99.99 110.848 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -84.96 135.04 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 99.99 110.882 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.17 175.01 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 99.99 111.128 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.5 t -68.48 158.31 34.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 99.99 110.898 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.33 -33.43 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 99.99 111.099 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.73 25.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.77 . . . . 99.99 112.528 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.18 -50.08 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 99.99 111.175 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.82 -36.94 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 99.99 111.074 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.71 -42.57 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.11 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.38 -43.88 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.838 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.4 mmm -51.74 -54.42 28.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 99.99 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.2 p -66.3 -29.32 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 99.99 111.137 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.29 -23.14 59.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.81 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -79.25 -25.56 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 99.99 110.833 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.79 70.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 99.99 112.543 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.0 mt -104.2 -24.36 13.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 99.99 110.934 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.2 151.43 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 99.99 111.145 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -131.79 142.6 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 99.99 110.855 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.2 mtt -64.49 130.36 43.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 99.99 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 99.99 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.791 0.246 . . . . 99.99 112.349 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.29 25.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 99.99 110.866 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.0 m -116.07 -40.62 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.183 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.4 t 57.3 62.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.5 mt -148.38 135.95 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 99.99 111.16 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.33 94.53 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.929 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -129.68 112.8 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.919 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.8 p -82.27 1.19 37.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 99.99 111.137 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 t -179.61 -78.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.839 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.85 100.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.935 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.32 147.37 40.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 99.99 110.909 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.3 m -126.11 135.96 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.149 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.6 m -84.32 118.04 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 99.99 111.161 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.31 133.33 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 99.99 111.167 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 p -112.25 129.97 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.119 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.38 149.26 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.098 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mt -107.34 -12.02 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.935 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.9 m -153.2 159.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 99.99 111.125 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -53.38 105.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.889 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -138.43 143.68 39.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 99.99 110.922 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -97.24 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.853 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.3 t -114.92 142.3 46.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 99.99 111.169 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.44 89.29 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.45 179.91 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.096 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.84 130.61 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 99.99 110.878 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 119.81 12.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.871 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.73 -46.56 10.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.091 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -26.22 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 99.99 111.102 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -118.32 -176.61 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 99.99 110.828 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -117.66 81.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 99.99 110.869 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.49 104.17 0.85 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 99.99 110.926 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 164.76 33.29 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.633 2.222 . . . . 99.99 112.343 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.12 130.69 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.116 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.47 -34.1 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 99.99 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -152.05 127.94 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 99.99 110.836 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 m -108.41 152.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 99.99 111.15 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.43 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -113.35 165.63 12.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.577 0.703 . . . . 99.99 110.911 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.82 92.29 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.692 2.262 . . . . 99.99 112.365 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.52 0.8 3.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.638 -0.791 . . . . 99.99 112.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.1 m -106.81 134.8 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 99.99 111.123 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -98.73 115.92 29.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.142 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -121.54 136.61 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 99.99 110.921 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -87.87 133.29 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.835 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.8 m -135.09 172.92 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.169 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.2 145.55 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 99.99 110.813 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.56 -30.56 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 99.99 111.133 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.12 -28.74 48.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.837 -0.696 . . . . 99.99 112.456 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.97 -47.77 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 99.99 111.157 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.77 -37.33 50.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 99.99 111.149 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -42.52 61.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 99.99 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.21 -42.93 44.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 99.99 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.6 mmm -53.31 -54.39 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.1 p -65.03 -30.56 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 99.99 111.137 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.14 -22.22 59.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 99.99 110.855 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -77.0 -27.04 54.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 99.99 110.837 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.42 24.65 56.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 99.99 112.47 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.8 mt -114.26 -24.98 8.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 99.99 110.954 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.91 150.22 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.085 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.32 147.17 52.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.872 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 1.3 mtt -59.83 137.95 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.828 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 99.99 110.861 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.663 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.928 0.394 . . . . 54.25 111.112 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -82.2 123.75 29.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 61.329999999999998 111.13 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.76 131.85 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.549999999999997 111.112 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.46 131.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.137 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 142.47 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 111.12 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.7 mt -100.45 -20.79 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 110.935 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 15.4 m -142.08 156.39 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 72.109999999999999 111.112 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 102.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 64.430000000000007 110.916 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.817 HD13 HD13 ' A' ' 128' ' ' LEU . 12.4 tp -137.77 143.21 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 54.530000000000001 110.919 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 21.2 m170 -97.49 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 75.150000000000006 110.838 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 107' ' ' VAL . 14.9 t -109.52 146.88 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 72.329999999999998 111.136 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.65 89.38 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 70.209999999999994 110.832 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.707 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.04 121.55 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 61.539999999999999 111.113 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.56 122.47 41.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 53.109999999999999 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 124.61 13.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 73.439999999999998 110.812 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.81 -46.3 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 31.420000000000002 111.135 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -81.81 -31.69 31.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 72.540000000000006 111.13 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -110.59 -177.31 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.329999999999998 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.86 80.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 65.230000000000004 110.871 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.2 103.6 0.78 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 73.340000000000003 110.87 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.83 154.04 67.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 54.299999999999997 112.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.2 t -126.49 117.36 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.439999999999998 111.128 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.54 -21.64 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.409999999999997 111.112 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 29.2 p90 -159.08 129.52 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.510000000000005 110.866 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.31 159.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 64.349999999999994 111.118 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.64 162.61 21.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 72.230000000000004 110.898 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.706 2.271 . . . . 75.219999999999999 112.336 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.79 -6.97 2.14 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 40.030000000000001 112.471 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.4 134.35 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 72.25 111.119 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.16 113.76 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 55.420000000000002 111.107 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.5 p90 -118.24 140.84 49.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 61.219999999999999 110.888 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -90.34 136.22 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.239999999999995 110.83 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.707 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.4 m -137.79 178.55 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 63.240000000000002 111.143 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.6 t -70.43 159.64 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 61.229999999999997 110.837 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.21 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.219999999999999 111.06 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.93 28.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 62.549999999999997 112.473 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 116' ' ' SER . 94.6 t -66.34 -49.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 75.409999999999997 111.1 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.663 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.86 -37.59 52.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.540000000000006 111.087 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.68 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 73.530000000000001 111.106 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.19 -39.78 53.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 72.049999999999997 110.917 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.7 mmm -56.75 -54.46 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.109999999999999 110.867 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -66.32 -29.41 69.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 75.450000000000003 111.103 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.33 -22.01 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 74.310000000000002 110.854 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -77.54 -25.65 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 52.520000000000003 110.873 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.75 17.38 70.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 72.200000000000003 112.499 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.817 HD13 HD13 ' A' ' 91' ' ' LEU . 9.4 mt -106.51 -24.23 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 42.240000000000002 110.892 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.99 151.49 52.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 54.32 111.08 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.542 ' HB2' HD11 ' A' ' 88' ' ' LEU . 2.1 ttt85 -128.12 146.03 50.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 74.430000000000007 110.867 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.4 mtp -72.1 121.25 18.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 72.349999999999994 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 64.439999999999998 110.961 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.1 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.881 0.372 . . . . 72.329999999999998 111.211 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -82.11 123.88 29.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 61.310000000000002 111.153 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -144.94 131.87 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 111.069 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.45 131.71 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 63.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.19 142.6 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 70.409999999999997 111.127 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.2 mt -100.71 -20.54 15.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.530000000000001 110.912 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 24.2 m -142.11 156.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 73.340000000000003 111.171 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 102.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 71.219999999999999 110.861 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -137.86 143.27 40.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.239999999999995 110.922 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 12.1 m170 -97.51 105.07 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 65.340000000000003 110.842 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.57 146.52 34.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 111.174 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.33 89.36 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 70.430000000000007 110.813 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.709 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.93 121.73 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.540000000000006 111.097 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.64 122.35 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.109999999999999 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 125.12 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.883 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.31 -46.4 8.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 111.087 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.99 -31.13 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 32.119999999999997 111.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -110.98 -177.44 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 75.040000000000006 110.906 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -117.83 80.53 1.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 75.230000000000004 110.905 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.5 tt0 -165.15 103.64 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 73.209999999999994 110.833 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.8 154.36 67.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 73.450000000000003 112.351 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 t -126.77 117.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.120000000000005 111.188 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.76 -21.71 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.540000000000006 111.068 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 37.6 p90 -159.09 129.61 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.409999999999997 110.828 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.776 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.37 159.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 75.450000000000003 111.156 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.446 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.51 22.18 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.551 0.691 . . . . 52.32 110.969 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.5 Cg_endo -69.73 85.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 75.310000000000002 112.368 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.08 -7.17 2.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 74.239999999999995 112.472 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.24 134.37 40.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.791 0.329 . . . . 63.539999999999999 111.096 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.15 113.84 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 42.140000000000001 111.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.776 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.4 p90 -118.24 140.77 49.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 65.209999999999994 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -90.12 136.12 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.81 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.709 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.9 m -137.74 178.5 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 63.420000000000002 111.162 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.8 t -70.56 159.71 33.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 71.239999999999995 110.865 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.31 74.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 74.019999999999996 111.076 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -34.94 28.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 72.120000000000005 112.534 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.2 t -66.22 -49.85 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 72.200000000000003 111.181 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.85 -39.68 59.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 72.010000000000005 111.115 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -40.38 59.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 54.200000000000003 111.129 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -76.13 -42.42 46.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 65.129999999999995 110.903 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.9 mmm -56.14 -54.41 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 74.340000000000003 110.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.6 p -64.79 -29.9 70.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 70.099999999999994 111.092 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -75.95 -23.94 55.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 71.340000000000003 110.861 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -27.12 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.24 19.16 63.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 75.25 112.501 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 91' ' ' LEU . 14.0 mt -106.77 -25.73 11.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 73.200000000000003 110.917 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.93 151.39 51.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 65.109999999999999 111.092 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.56 ' HB2' HD11 ' A' ' 88' ' ' LEU . 69.1 ttt180 -130.1 148.59 51.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 63.420000000000002 110.795 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.1 mtt -69.75 130.45 42.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 71.150000000000006 110.819 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 65.340000000000003 110.931 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.646 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.5 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.899 0.381 . . . . 35.310000000000002 111.12 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.9 m -82.92 117.5 22.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 111.178 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.29 132.22 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 72.510000000000005 111.096 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.49 130.27 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 111.162 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 140.79 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 130' ' ' ARG . 7.6 mt -99.6 -20.74 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 74.219999999999999 110.922 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 18.8 m -140.62 155.67 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 71.200000000000003 111.141 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.08 103.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 128' ' ' LEU . 12.8 tp -138.03 143.65 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 64.150000000000006 110.968 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -97.73 104.86 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.310000000000002 110.913 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 107' ' ' VAL . 13.5 t -109.37 144.62 37.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 43.340000000000003 111.174 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -105.66 89.25 3.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 62.119999999999997 110.854 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.8 -179.95 3.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 44.25 111.102 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 127.18 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 73.150000000000006 110.905 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 113.25 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 64.019999999999996 110.801 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.48 -46.42 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.158 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.6 p -78.53 -34.63 47.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.1 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.79 -175.68 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 72.409999999999997 110.913 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -117.76 81.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 71.209999999999994 110.83 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -164.32 102.98 0.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 54.299999999999997 110.921 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.71 156.93 62.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.773 2.316 . . . . 73.299999999999997 112.341 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 19.0 t -122.51 119.94 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 64.129999999999995 111.128 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.54 -22.25 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.219999999999999 111.078 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -159.08 130.19 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 74.230000000000004 110.829 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.76 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.21 158.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 65.230000000000004 111.12 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.52 162.76 20.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 74.150000000000006 110.901 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.75 86.02 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 73.510000000000005 112.398 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.33 -5.29 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 62.420000000000002 112.505 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 86' ' ' VAL . 78.9 m -98.25 133.89 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 62.420000000000002 111.126 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.19 115.9 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 111.124 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.76 ' CD1' HG11 ' A' ' 107' ' ' VAL . 25.3 p90 -121.25 135.96 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -85.18 135.86 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.310000000000002 110.907 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 83' ' ' VAL . 32.7 m -138.31 178.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 42.119999999999997 111.096 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 119' ' ' VAL . 32.8 t -70.45 159.19 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 62.039999999999999 110.805 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.68 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 73.129999999999995 111.158 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -35.2 27.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 73.140000000000001 112.419 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 116' ' ' SER . 91.8 t -65.75 -50.69 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 54.119999999999997 111.11 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.646 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.77 -37.29 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 55.399999999999999 111.065 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.31 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 52.240000000000002 111.064 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.26 -45.16 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 71.430000000000007 110.805 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 79.9 mmm -51.46 -54.37 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.9 p -65.17 -29.18 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.140000000000001 111.132 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.12 -26.31 60.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 63.340000000000003 110.919 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -24.63 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 71.450000000000003 110.9 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.06 73.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 75.239999999999995 112.486 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 91' ' ' LEU . 6.8 mt -103.79 -24.15 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 60.340000000000003 110.945 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.64 147.53 50.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 45.530000000000001 111.102 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.571 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.0 ttm-85 -124.89 151.05 45.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 72.340000000000003 110.856 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.9 mtp -76.9 113.68 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 74.519999999999996 110.844 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 61.43 110.942 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.681 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.831 0.348 . . . . 73.209999999999994 111.158 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -82.22 121.95 27.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.430000000000007 111.156 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.77 130.84 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 111.114 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.37 131.69 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.420000000000002 111.139 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.99 138.91 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 54.43 111.057 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.0 mt -95.01 -25.81 16.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 75.329999999999998 110.952 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 16.7 m -136.19 154.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 74.25 111.153 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HD2' HD13 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -52.95 105.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.129999999999995 110.883 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 128' ' ' LEU . 11.5 tp -140.42 143.39 35.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 72.409999999999997 110.95 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 11.3 m170 -95.95 105.17 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 62.310000000000002 110.858 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 107' ' ' VAL . 13.4 t -109.73 148.14 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 65.140000000000001 111.182 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -111.72 89.19 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 64.310000000000002 110.856 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.716 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.67 112.58 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.140000000000001 111.053 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.38 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 61.119999999999997 110.926 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 127.06 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 71.209999999999994 110.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.14 -46.35 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 52.210000000000001 111.085 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -82.47 -32.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.230000000000004 111.17 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -108.2 -177.9 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 63.149999999999999 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.71 80.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 63.310000000000002 110.856 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.28 103.51 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 71.219999999999999 110.896 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.2 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.709 2.273 . . . . 71.349999999999994 112.323 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.48 118.91 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.519999999999996 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.8 -21.08 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 60.409999999999997 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 33.1 p90 -159.13 129.04 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 110.815 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.761 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.61 158.77 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 73.049999999999997 111.16 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.489 HD13 ' HD2' ' A' ' 90' ' ' LYS . 2.4 mm? -113.59 162.68 21.27 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.744 . . . . 71.430000000000007 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.65 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 70.239999999999995 112.307 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.9 -6.23 2.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 63.409999999999997 112.492 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 85.3 m -97.54 133.97 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 75.549999999999997 111.116 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.66 115.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 53.520000000000003 111.104 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.761 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.6 p90 -119.2 136.28 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 70.329999999999998 110.899 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -85.72 133.14 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.716 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.9 m -133.62 178.12 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.120000000000005 111.136 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.89 148.37 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 65.230000000000004 110.833 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.65 -33.82 23.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 63.200000000000003 111.118 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.17 -28.86 47.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 72.109999999999999 112.467 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.4 -48.93 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 74.209999999999994 111.141 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.681 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.19 -37.76 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.450000000000003 111.072 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.57 -41.96 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 13.24 111.105 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.14 -45.95 31.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.875 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.9 mmm -50.49 -54.36 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 110.918 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.4 p -65.11 -29.14 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.230000000000004 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -73.36 -24.85 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.937 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.18 54.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 71.340000000000003 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.67 19.13 74.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 54.420000000000002 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 91' ' ' LEU . 5.2 mt -107.14 -24.55 11.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.798 0.332 . . . . 74.439999999999998 110.978 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.95 154.06 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.150000000000006 111.083 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.563 ' HB2' HD11 ' A' ' 88' ' ' LEU . 1.8 ttt85 -134.25 145.62 49.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.519999999999996 110.818 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.5 mtt -63.64 145.9 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.450000000000003 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 64.400000000000006 110.918 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.891 0.377 . . . . 63.509999999999998 111.065 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.5 m -84.36 121.32 27.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 65.019999999999996 111.119 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.37 132.93 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 70.129999999999995 111.15 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -108.41 132.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 111.148 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.14 143.84 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 43.039999999999999 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 130' ' ' ARG . 16.3 mt -100.17 -22.11 15.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 71.129999999999995 110.939 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 14.4 m -142.36 157.11 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 72.049999999999997 111.099 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.02 102.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 71.129999999999995 110.861 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.845 HD13 HD13 ' A' ' 128' ' ' LEU . 12.2 tp -138.05 142.8 40.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 51.039999999999999 110.927 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 10.9 m170 -96.74 105.24 17.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 71.310000000000002 110.867 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 107' ' ' VAL . 14.8 t -110.06 147.57 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 62.119999999999997 111.082 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -111.01 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 74.530000000000001 110.849 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.726 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.8 113.25 14.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 71.420000000000002 111.108 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.18 122.58 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 65.349999999999994 110.9 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 126.57 18.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 73.409999999999997 110.834 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.94 -46.12 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 72.129999999999995 111.065 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -37.3 25.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 75.430000000000007 111.142 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -103.55 -177.77 3.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 73.230000000000004 110.842 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.84 80.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 63.240000000000002 110.859 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.0 OUTLIER -165.13 104.0 0.78 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 73.129999999999995 110.915 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.2 Cg_endo -69.75 154.27 68.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 63.310000000000002 112.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.1 t -126.22 120.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 54.149999999999999 111.069 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.57 -22.22 8.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 71.430000000000007 111.07 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 43.8 p90 -159.05 128.93 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 65.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.783 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -115.1 158.91 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 111.136 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.69 162.77 20.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 61.109999999999999 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.73 85.16 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.711 2.274 . . . . 70.0 112.298 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.16 -7.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 62.039999999999999 112.461 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.1 m -97.21 134.42 40.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 72.299999999999997 111.112 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.04 114.18 25.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 64.409999999999997 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.783 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.6 p90 -117.5 141.02 48.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.420000000000002 110.845 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -89.05 136.71 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 110.917 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.726 HG12 ' CB ' ' A' ' 95' ' ' ALA . 30.5 m -137.63 177.31 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 111.191 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.73 146.79 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 72.430000000000007 110.823 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.02 -33.73 26.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 72.319999999999993 111.089 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.05 -27.09 54.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 75.140000000000001 112.552 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.86 -48.5 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.317 . . . . 64.349999999999994 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.67 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.91 -37.2 51.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 72.230000000000004 111.132 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.48 61.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 63.240000000000002 111.038 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.06 -43.0 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 72.549999999999997 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.4 mmm -53.04 -54.35 36.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 75.299999999999997 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.1 p -66.0 -29.43 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 62.039999999999999 111.101 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -22.87 58.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 72.230000000000004 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -77.03 -25.26 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 72.239999999999995 110.86 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.02 23.19 61.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 62.25 112.394 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.845 HD13 HD13 ' A' ' 91' ' ' LEU . 9.2 mt -112.2 -24.65 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.877 0.37 . . . . 62.240000000000002 110.941 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.97 158.46 38.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.230000000000004 111.12 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.566 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -140.07 142.89 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 75.019999999999996 110.869 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.1 mtt -62.6 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.129999999999995 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.340000000000003 110.953 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.695 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.0 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.874 0.368 . . . . 74.420000000000002 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 m -84.28 121.11 27.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 60.310000000000002 111.057 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 p -140.36 132.55 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 71.040000000000006 111.11 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.44 132.18 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 71.510000000000005 111.111 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.98 143.94 52.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 41.240000000000002 111.155 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 130' ' ' ARG . 9.1 mt -100.76 -21.58 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.129999999999995 110.943 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 7.3 m -142.46 157.3 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.329999999999998 111.167 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.200000000000003 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.98 HD13 HD13 ' A' ' 128' ' ' LEU . 11.9 tp -137.65 143.38 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.549999999999997 110.959 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 14.7 m170 -97.16 105.18 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.340000000000003 110.81 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.68 HG22 HG22 ' A' ' 107' ' ' VAL . 15.2 t -109.81 147.84 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 63.219999999999999 111.185 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -111.43 89.23 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 75.049999999999997 110.936 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.715 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.26 112.58 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 111.063 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.59 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.030000000000001 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 127.06 19.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 71.140000000000001 110.836 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.04 -46.36 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 111.119 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.52 -31.83 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 62.149999999999999 111.078 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -109.54 -177.79 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.319999999999993 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.69 80.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 54.299999999999997 110.826 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.1 tt0 -165.29 103.56 0.77 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.725 0.774 . . . . 73.310000000000002 110.887 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.8 154.29 67.75 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.66 2.24 . . . . 73.530000000000001 112.33 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.02 120.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 71.439999999999998 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.03 -21.65 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 74.209999999999994 111.095 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.4 p90 -159.02 129.37 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 74.099999999999994 110.949 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.774 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.17 158.86 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.129999999999995 111.11 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.55 22.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 71.040000000000006 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.72 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 74.349999999999994 112.322 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.31 -7.46 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 71.400000000000006 112.423 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.07 134.55 40.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 72.030000000000001 111.097 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.44 113.88 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 65.120000000000005 111.103 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.774 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.2 p90 -117.37 136.19 53.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 73.340000000000003 110.905 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -86.02 133.26 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.839 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.715 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.5 m -133.29 178.05 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 73.5 111.153 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.57 148.12 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.809 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.57 -35.38 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 60.009999999999998 111.048 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -27.04 53.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 72.129999999999995 112.465 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.45 -48.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 64.120000000000005 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.09 -41.09 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.319999999999993 111.156 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.26 -39.62 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.140000000000001 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.2 -43.7 41.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.863 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 86.6 mmm -54.31 -54.51 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.1 p -63.99 -29.4 70.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 71.120000000000005 111.144 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.06 -24.42 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 72.219999999999999 110.928 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -76.67 -26.19 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 73.099999999999994 110.911 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.37 28.06 49.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 61.210000000000001 112.531 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.98 HD13 HD13 ' A' ' 91' ' ' LEU . 5.5 mt -116.64 -26.35 7.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 64.430000000000007 110.876 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.68 153.66 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.310000000000002 111.066 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.666 ' HB2' HD21 ' A' ' 88' ' ' LEU . 5.6 ttt-85 -133.32 142.17 48.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 110.877 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.12 137.83 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 75.049999999999997 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.549999999999997 110.875 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.8 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.922 0.391 . . . . 73.019999999999996 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 m -82.68 122.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 71.540000000000006 111.159 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -143.16 131.49 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 74.030000000000001 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.33 132.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.420000000000002 111.16 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.45 144.82 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.109999999999999 111.096 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 130' ' ' ARG . 9.6 mt -101.55 -20.93 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 73.239999999999995 110.857 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 15.5 m -142.14 156.04 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 111.111 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HG3' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -52.95 102.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 73.219999999999999 110.888 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.705 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -137.18 143.19 42.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 71.519999999999996 110.901 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 5.6 m-70 -96.62 105.21 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.439999999999998 110.863 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.662 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.49 147.23 34.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 74.430000000000007 111.086 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -111.0 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 73.409999999999997 110.873 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.721 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.3 112.58 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 63.210000000000001 111.127 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 122.54 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 62.399999999999999 110.942 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 126.9 18.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 72.349999999999994 110.918 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.99 -46.23 7.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 73.140000000000001 111.05 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 t -82.63 -31.77 28.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 61.340000000000003 111.151 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -109.56 -177.81 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 72.109999999999999 110.826 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.63 80.41 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 74.109999999999999 110.862 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -165.27 103.69 0.77 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 64.530000000000001 110.845 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.4 Cg_endo -69.9 154.32 67.3 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 71.340000000000003 112.332 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.01 120.19 54.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 35.310000000000002 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.11 -21.87 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 111.08 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 38.2 p90 -158.55 129.47 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 110.827 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.762 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.54 158.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 73.549999999999997 111.154 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.42 162.75 20.75 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.714 . . . . 74.510000000000005 110.912 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.52 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 75.430000000000007 112.266 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.71 -6.85 2.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 70.129999999999995 112.51 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.0 m -97.16 133.57 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 53.450000000000003 111.149 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.75 115.66 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 63.109999999999999 111.116 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.762 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.1 p90 -119.3 141.76 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 71.239999999999995 110.875 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -90.04 135.51 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 74.349999999999994 110.886 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.721 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.7 m -136.91 178.23 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 71.209999999999994 111.128 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.37 147.34 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 62.049999999999997 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.07 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 71.239999999999995 111.066 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.01 -28.52 49.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 53.32 112.473 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.8 t -76.55 -47.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.409999999999997 111.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.86 -36.81 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 73.010000000000005 111.073 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -42.94 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.209999999999994 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.12 -45.54 33.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 74.219999999999999 110.929 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.3 mmm -51.13 -48.71 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 73.150000000000006 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.5 p -75.63 -29.39 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 65.340000000000003 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -22.36 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 110.931 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -22.92 31.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 75.409999999999997 110.837 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.71 16.36 75.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 63.409999999999997 112.48 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.705 HD13 HD13 ' A' ' 91' ' ' LEU . 7.3 mt -99.19 -24.54 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 75.019999999999996 110.87 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.4 151.15 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 70.219999999999999 111.102 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.565 ' HB2' HD11 ' A' ' 88' ' ' LEU . 12.0 ttt180 -129.95 148.55 51.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.869 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.0 mtt -68.07 130.97 44.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.319999999999993 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 64.129999999999995 110.918 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.6 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 71.549999999999997 111.153 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -85.53 114.98 22.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 62.340000000000003 111.175 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.05 135.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 74.319999999999993 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -111.77 130.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.140000000000001 111.084 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.96 141.85 52.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 14.31 111.171 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 130' ' ' ARG . 7.6 mt -100.08 -20.49 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 72.310000000000002 110.924 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 30.3 m -141.12 155.85 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 54.450000000000003 111.21 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -53.14 103.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 61.409999999999997 110.927 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 128' ' ' LEU . 12.8 tp -139.19 141.58 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 55.299999999999997 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -96.29 104.99 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.817 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 107' ' ' VAL . 13.6 t -109.51 144.69 37.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 74.329999999999998 111.17 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -105.75 89.29 3.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 110.848 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -117.5 -179.93 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 61.219999999999999 111.144 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.68 127.02 9.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 63.509999999999998 110.932 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 63.130000000000003 110.86 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.41 -46.42 16.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 63.539999999999999 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -37.55 40.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 74.439999999999998 111.127 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -107.14 -175.97 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 75.549999999999997 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.88 81.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 65.349999999999994 110.855 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -164.3 103.83 0.87 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 51.450000000000003 110.909 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 155.7 65.55 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.614 2.209 . . . . 72.140000000000001 112.4 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 18.4 t -120.27 120.46 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 73.239999999999995 111.097 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.15 -22.5 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 111.042 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -158.95 129.83 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.400000000000006 110.921 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.761 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.58 158.16 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 52.43 111.18 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.452 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.83 20.52 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 65.219999999999999 110.944 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.75 85.64 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.766 2.311 . . . . 53.340000000000003 112.254 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.88 -5.78 2.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 64.109999999999999 112.508 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.6 m -98.04 134.96 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 63.420000000000002 111.115 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.1 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 111.084 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.761 ' CD1' HG11 ' A' ' 107' ' ' VAL . 24.6 p90 -121.46 136.49 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 75.140000000000001 110.926 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -84.94 135.02 34.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 75.519999999999996 110.885 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.437 ' O ' HG22 ' A' ' 83' ' ' VAL . 30.5 m -137.44 170.8 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 42.100000000000001 111.139 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 144.78 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 74.319999999999993 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.56 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 60.439999999999998 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -29.46 45.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 63.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.14 -48.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 63.520000000000003 111.02 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.88 -37.31 51.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.5 111.085 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 51.039999999999999 111.131 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.27 -42.77 44.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 65.230000000000004 110.838 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.2 mmm -53.94 -54.51 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -64.45 -29.36 70.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 63.439999999999998 111.108 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -75.81 -23.57 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.319999999999993 110.843 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -76.11 -25.7 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.896 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 34.009999999999998 112.521 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 91' ' ' LEU . 8.5 mt -114.48 -25.04 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 64.25 110.94 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -133.34 149.65 51.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.129999999999995 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -133.56 145.74 50.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 72.420000000000002 110.933 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -59.43 138.51 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 110.855 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 73.450000000000003 110.873 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.903 0.382 . . . . 61.140000000000001 111.076 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 132' ' ' GLN . 3.5 m -82.13 120.71 25.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 73.519999999999996 111.115 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 131' ' ' MET . 29.3 t -140.72 130.84 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 64.239999999999995 111.153 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -110.34 130.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.450000000000003 111.155 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.01 142.78 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 32.329999999999998 111.106 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.719 HD21 ' CB ' ' A' ' 130' ' ' ARG . 8.7 mt -101.41 -20.01 15.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 71.349999999999994 110.949 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 14.6 m -142.19 155.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.219999999999999 111.171 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 102.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 51.119999999999997 110.873 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -138.15 142.98 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 110.917 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 6.9 m-70 -97.43 105.07 17.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.856 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.674 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -109.52 147.04 33.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 71.230000000000004 111.12 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.78 89.25 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 71.010000000000005 110.898 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.704 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.97 121.79 27.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 63.450000000000003 111.055 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.45 42.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 72.310000000000002 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 124.31 13.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 65.230000000000004 110.895 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.57 -46.16 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 43.210000000000001 111.128 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 m -81.77 -32.58 31.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 111.122 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -109.63 -177.36 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 64.140000000000001 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -117.83 80.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.209999999999994 110.94 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -165.09 103.54 0.78 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.603 0.716 . . . . 73.109999999999999 110.906 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.78 154.54 67.54 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.719 2.279 . . . . 62.210000000000001 112.358 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.13 117.29 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 52.43 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.55 -21.8 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 41.009999999999998 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.7 p90 -158.99 129.6 5.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 74.540000000000006 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.77 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.38 158.83 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 52.310000000000002 111.175 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.53 162.67 21.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 45.009999999999998 110.942 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.77 86.33 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.68 2.253 . . . . 72.510000000000005 112.321 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.84 -5.98 2.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 44.210000000000001 112.482 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 96.1 m -98.27 134.15 41.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 32.329999999999998 111.092 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.46 114.0 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 52.030000000000001 111.09 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.77 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.0 p90 -118.31 137.44 53.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 73.400000000000006 110.904 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -87.64 135.49 33.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 54.43 110.843 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.704 HG12 ' CB ' ' A' ' 95' ' ' ALA . 32.3 m -137.1 178.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.209999999999994 111.121 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.535 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.9 t -70.89 159.4 34.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 73.420000000000002 110.88 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.29 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 20.52 111.059 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.19 -35.32 27.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 35.409999999999997 112.48 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 116' ' ' SER . 94.9 t -65.78 -50.04 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 51.149999999999999 111.124 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.94 -41.88 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.54 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.540000000000006 111.077 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.03 -48.96 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 110.885 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 66.8 mmm -52.06 -54.4 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.911 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.491 HG21 ' CG ' ' A' ' 131' ' ' MET . 62.7 p -64.43 -31.49 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 111.158 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -69.95 -24.69 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 71.310000000000002 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.36 -27.33 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 71.010000000000005 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.47 21.36 54.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 35.119999999999997 112.522 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 91' ' ' LEU . 6.6 mt -107.6 -30.59 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 35.240000000000002 110.914 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.82 151.72 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 63.130000000000003 111.094 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.719 ' CB ' HD21 ' A' ' 88' ' ' LEU . 49.3 ttt-85 -124.53 127.18 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 110.84 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.664 ' HA ' HG22 ' A' ' 85' ' ' VAL . 11.5 mtp -51.64 135.17 29.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 64.519999999999996 110.893 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.466 ' HB3' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 44.140000000000001 110.907 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 120' ' ' ALA . 12.6 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.948 0.404 . . . . 71.439999999999998 111.167 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.9 m -82.39 124.05 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 52.310000000000002 111.155 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.67 132.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 73.25 111.124 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.28 132.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 53.350000000000001 111.133 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.58 144.94 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 55.229999999999997 111.071 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.5 mt -103.23 -18.36 14.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.230000000000004 110.925 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 27.5 m -143.74 155.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 62.32 111.088 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.23 102.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.914 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.762 HD13 HD13 ' A' ' 128' ' ' LEU . 12.5 tp -137.96 140.97 40.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 32.229999999999997 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -95.45 105.17 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 71.340000000000003 110.923 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.21 145.72 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 73.430000000000007 111.186 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.45 89.37 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 110.828 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.724 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.84 115.91 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.129999999999995 111.145 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.39 122.49 34.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 72.340000000000003 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 125.69 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 64.340000000000003 110.859 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.78 -46.13 8.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 45.5 111.05 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -39.95 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 43.149999999999999 111.136 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -177.77 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 74.540000000000006 110.922 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.82 80.1 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.885 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -165.2 103.94 0.78 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 72.430000000000007 110.851 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.69 2.26 . . . . 70.430000000000007 112.299 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.4 t -125.9 120.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.125 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.26 -21.79 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 50.100000000000001 111.141 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -159.06 128.87 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.230000000000004 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.765 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.71 158.14 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 72.430000000000007 111.12 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.51 162.83 20.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 70.140000000000001 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.77 84.52 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.213 . . . . 63.549999999999997 112.372 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.12 -7.95 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 70.519999999999996 112.482 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.4 m -96.59 134.01 40.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 70.219999999999999 111.171 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.6 115.89 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 55.009999999999998 111.156 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.765 ' CD1' HG11 ' A' ' 107' ' ' VAL . 28.8 p90 -120.01 142.64 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.902 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -91.05 136.08 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.420000000000002 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.724 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.8 m -137.9 178.37 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 31.309999999999999 111.129 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.544 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.3 t -70.61 159.29 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 72.340000000000003 110.926 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.11 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 72.409999999999997 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.22 27.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.774 . . . . 62.229999999999997 112.421 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.544 HG23 ' HB3' ' A' ' 116' ' ' SER . 95.6 t -65.85 -50.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.328 . . . . 65.420000000000002 111.109 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.666 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.79 -38.01 53.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.420000000000002 111.02 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.65 -43.4 62.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.31 -0.405 . . . . 70.310000000000002 111.065 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.28 -36.95 58.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 72.140000000000001 110.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 78.5 mmm -59.16 -54.47 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.299999999999997 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -66.53 -29.33 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.439999999999998 111.186 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -77.26 -22.26 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -76.91 -25.26 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 55.43 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.25 74.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 71.420000000000002 112.5 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.762 HD13 HD13 ' A' ' 91' ' ' LEU . 10.2 mt -104.54 -24.4 13.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 72.129999999999995 110.9 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.54 155.36 47.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 45.149999999999999 111.126 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.643 ' HB2' HD11 ' A' ' 88' ' ' LEU . 8.7 ttt180 -131.71 143.46 50.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.878 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 mtp -72.25 127.17 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 52.119999999999997 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 71.099999999999994 110.949 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.1 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.818 0.342 . . . . 54.32 111.123 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 m -82.42 122.65 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 111.157 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.48 134.0 25.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 73.030000000000001 111.151 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 111' ' ' THR . 2.0 p -112.63 130.89 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 71.019999999999996 111.109 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.56 154.28 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.349999999999994 111.064 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 130' ' ' ARG . 8.4 mt -110.82 -11.72 14.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 63.310000000000002 110.946 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.6 159.95 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -53.38 104.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.924 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.712 HD13 HD13 ' A' ' 128' ' ' LEU . 15.5 tp -137.17 144.22 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 72.430000000000007 110.945 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -96.95 105.19 17.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 45.25 110.813 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 107' ' ' VAL . 8.6 t -116.31 146.93 42.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 111.148 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -114.17 89.21 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 72.019999999999996 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.71 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -127.72 112.94 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 64.019999999999996 111.09 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -89.64 122.55 32.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.109999999999999 110.886 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 127.02 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.409999999999997 110.86 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.97 -46.21 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 63.43 111.171 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 t -82.82 -31.32 28.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 71.099999999999994 111.195 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -109.82 -177.84 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.898 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.67 80.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 63.020000000000003 110.825 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.2 103.8 0.78 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 74.310000000000002 110.907 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.75 158.89 55.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 51.329999999999998 112.373 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.17 131.77 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.450000000000003 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.16 -33.31 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 71.519999999999996 111.141 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -152.16 126.31 9.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 62.420000000000002 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 ' CD1' ' A' ' 113' ' ' PHE . 1.7 m -105.94 151.51 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 75.349999999999994 111.131 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.32 165.81 12.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.584 0.707 . . . . 75.299999999999997 110.959 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.639 2.226 . . . . 63.420000000000002 112.362 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.35 -0.54 3.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 71.230000000000004 112.506 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.0 m -105.05 135.41 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 74.409999999999997 111.172 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.18 115.66 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 61.439999999999998 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.754 ' CD1' HG11 ' A' ' 107' ' ' VAL . 26.2 p90 -120.24 142.57 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 74.420000000000002 110.936 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -92.76 135.1 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 74.310000000000002 110.926 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.71 HG12 ' CB ' ' A' ' 95' ' ' ALA . 32.3 m -137.21 178.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 73.120000000000005 111.119 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 119' ' ' VAL . 32.1 t -69.94 159.83 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 110.81 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 62.439999999999998 111.136 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.07 -35.53 27.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 61.109999999999999 112.575 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 116' ' ' SER . 84.8 t -65.56 -50.07 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 64.109999999999999 111.166 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.98 -36.75 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 64.530000000000001 111.123 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.31 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 73.109999999999999 111.146 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.18 -46.06 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.049999999999997 110.871 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 75.9 mmm -51.35 -52.7 43.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.420000000000002 110.828 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -69.54 -29.29 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 34.149999999999999 111.111 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.48 -24.78 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 71.450000000000003 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -22.87 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.010000000000005 110.874 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.01 -2.63 87.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 60.229999999999997 112.511 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.712 HD13 HD13 ' A' ' 91' ' ' LEU . 15.8 mt -77.03 -23.38 52.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 75.519999999999996 110.902 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -139.16 151.39 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.439999999999998 111.16 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.643 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -127.09 144.0 51.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 71.540000000000006 110.807 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.0 mtt -68.62 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 75.439999999999998 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.540000000000006 110.961 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.69 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.2 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.853 0.359 . . . . 72.400000000000006 111.17 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 132' ' ' GLN . 3.4 m -84.06 120.72 26.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 52.240000000000002 111.151 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 131' ' ' MET . 28.9 t -140.36 132.0 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 72.409999999999997 111.129 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -110.71 132.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 111.101 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.36 137.58 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 52.210000000000001 111.126 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.716 HD21 ' CB ' ' A' ' 130' ' ' ARG . 7.7 mt -93.2 -28.03 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 60.399999999999999 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 28.3 m -134.48 154.63 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 62.420000000000002 111.119 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.467 ' HD2' HD13 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -52.94 106.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 110.957 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 128' ' ' LEU . 11.2 tp -142.01 143.25 33.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 52.439999999999998 110.928 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 10.9 m-70 -95.79 104.99 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 110.893 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.708 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.7 142.95 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.099999999999994 111.134 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.44 89.06 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.875 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.679 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -128.95 121.1 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 71.299999999999997 111.194 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.74 122.21 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 60.009999999999998 110.912 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 123.28 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 71.349999999999994 110.853 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.45 -46.13 8.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 65.239999999999995 111.146 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -81.92 -36.86 27.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.040000000000006 111.177 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -104.46 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 73.530000000000001 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.98 80.43 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 63.329999999999998 110.878 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.44 102.88 0.76 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.676 0.75 . . . . 71.409999999999997 110.953 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.1 Cg_endo -69.84 155.19 66.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 75.219999999999999 112.292 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.3 t -128.57 118.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 65.340000000000003 111.179 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.06 -22.32 9.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 111.057 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 40.0 p90 -158.36 129.78 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 73.209999999999994 110.898 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.82 159.01 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 74.150000000000006 111.096 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 90' ' ' LYS . 2.5 mm? -113.65 162.59 21.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.536 0.684 . . . . 54.240000000000002 110.914 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.2 Cg_endo -69.74 87.67 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 63.439999999999998 112.336 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.01 -3.48 2.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 30.41 112.486 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 86' ' ' VAL . 97.0 m -99.61 134.97 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 53.32 111.164 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 111.85 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 74.030000000000001 111.186 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 35.0 p90 -116.06 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.329999999999998 110.911 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -84.98 135.34 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 74.349999999999994 110.859 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.679 HG12 ' CB ' ' A' ' 95' ' ' ALA . 26.7 m -136.28 177.47 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 72.030000000000001 111.065 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.53 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.2 t -70.43 158.97 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 70.430000000000007 110.813 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.48 73.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.019999999999996 111.07 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -35.88 25.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 64.209999999999994 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.53 HG23 ' HB3' ' A' ' 116' ' ' SER . 97.7 t -64.89 -49.47 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 73.430000000000007 111.128 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.69 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.88 -43.08 63.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 73.430000000000007 111.048 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.19 58.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 71.409999999999997 111.109 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.18 -51.18 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 53.520000000000003 110.876 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 65.3 mmm -52.85 -54.39 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 72.400000000000006 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -61.87 -29.74 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 111.099 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.76 -23.03 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 110.85 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -28.74 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.310000000000002 110.893 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.59 57.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 70.510000000000005 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 91' ' ' LEU . 10.4 mt -105.27 -25.67 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 73.209999999999994 110.862 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.83 151.21 49.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 60.310000000000002 111.11 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.716 ' CB ' HD21 ' A' ' 88' ' ' LEU . 26.0 ttt180 -124.61 127.41 47.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.894 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.688 ' HA ' HG22 ' A' ' 85' ' ' VAL . 11.5 mtp -51.61 135.54 28.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 71.219999999999999 110.898 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.517 ' HB3' HG22 ' A' ' 84' ' ' THR . 9.8 tt0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 72.140000000000001 110.928 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.685 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.8 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.916 0.388 . . . . 54.439999999999998 111.121 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -81.31 123.42 28.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 41.450000000000003 111.133 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.49 130.9 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.510000000000005 111.139 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -110.66 132.22 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 61.25 111.193 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.51 144.65 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.319999999999993 111.128 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 130' ' ' ARG . 9.5 mt -101.55 -20.84 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 41.450000000000003 110.908 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 8.4 m -142.78 157.04 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 62.350000000000001 111.121 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.1 102.32 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 61.5 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -137.61 143.5 41.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 74.209999999999994 110.958 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.04 105.0 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 110.93 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.655 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -110.32 148.39 32.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 111.115 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -113.59 88.61 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 110.815 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.733 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -134.6 113.22 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.530000000000001 111.093 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.83 141.39 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 65.140000000000001 110.867 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 132.54 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.420000000000002 110.796 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.25 -46.06 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 64.349999999999994 111.132 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -37.52 19.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 54.299999999999997 111.194 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -101.13 -177.5 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 65.310000000000002 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -118.08 79.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 74.010000000000005 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.3 mt-10 -165.11 103.36 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 71.019999999999996 110.884 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.82 172.69 12.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.636 2.224 . . . . 74.430000000000007 112.327 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.51 124.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 71.150000000000006 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.93 -20.94 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 64.439999999999998 111.084 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -159.16 129.84 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.871 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.67 158.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 65.329999999999998 111.133 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.45 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.66 21.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.665 0.745 . . . . 62.43 110.901 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.716 2.278 . . . . 75.239999999999995 112.33 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.53 -7.53 2.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 45.539999999999999 112.466 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.3 m -96.57 133.45 41.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 74.150000000000006 111.14 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 114.9 26.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 64.120000000000005 111.129 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.759 ' CD1' HG11 ' A' ' 107' ' ' VAL . 31.1 p90 -119.0 135.89 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 71.349999999999994 110.853 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -85.04 135.36 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 72.540000000000006 110.918 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.733 HG12 ' CB ' ' A' ' 95' ' ' ALA . 22.4 m -134.9 178.2 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 111.126 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -75.8 149.23 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 75.030000000000001 110.827 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.38 -36.46 32.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 61.219999999999999 111.154 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.2 -27.31 52.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 64.019999999999996 112.472 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 116' ' ' SER . 95.7 t -72.62 -49.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.786 0.327 . . . . 74.430000000000007 111.113 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.11 -38.01 55.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 111.106 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.89 61.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 72.530000000000001 111.126 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.96 -44.89 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 70.200000000000003 110.911 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.6 mmm -52.0 -54.39 30.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 65.129999999999995 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.1 p -65.31 -30.91 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 72.129999999999995 111.148 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.35 -23.95 62.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 63.329999999999998 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -75.95 -25.98 56.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 64.109999999999999 110.882 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.07 21.64 64.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 52.140000000000001 112.474 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 91' ' ' LEU . 7.6 mt -110.79 -25.32 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 73.019999999999996 110.889 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.91 154.9 45.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 45.32 111.11 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.661 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.3 ttt180 -134.35 147.04 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 75.420000000000002 110.863 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.2 mtt -65.75 143.61 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 75.349999999999994 110.811 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.340000000000003 110.855 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.643 HG21 ' CB ' ' A' ' 120' ' ' ALA . 16.9 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.899 0.38 . . . . 75.129999999999995 111.16 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.5 m -83.66 121.25 27.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 71.340000000000003 111.134 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.16 134.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 73.209999999999994 111.112 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -112.29 131.39 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 64.510000000000005 111.144 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 144.58 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 73.239999999999995 111.138 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.4 mt -102.81 -19.6 14.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 62.399999999999999 110.842 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 13.5 m -142.07 155.82 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 72.209999999999994 111.113 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.07 102.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 72.349999999999994 110.925 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -138.02 142.8 40.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 62.340000000000003 110.897 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 9.9 m170 -97.02 105.11 17.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 72.349999999999994 110.836 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.658 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.72 143.59 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.310000000000002 111.113 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.77 89.4 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 73.519999999999996 110.875 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.685 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.56 120.77 24.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.219999999999999 111.133 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 122.22 41.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 73.140000000000001 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.32 126.91 20.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 110.912 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.05 -46.61 7.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 51.43 111.129 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 t -82.51 -30.09 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 63.509999999999998 111.15 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -111.31 -178.02 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.7 80.51 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 62.219999999999999 110.905 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.53 104.02 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.664 0.745 . . . . 72.209999999999994 110.837 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.7 Cg_endo -69.79 154.36 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 72.540000000000006 112.361 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -127.61 112.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.140000000000001 111.181 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.04 -21.18 12.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 55.200000000000003 111.029 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.1 p90 -159.19 129.48 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 73.109999999999999 110.82 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.8 158.37 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 64.230000000000004 111.124 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.63 162.61 21.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 70.140000000000001 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.4 Cg_endo -69.76 86.29 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.669 2.246 . . . . 73.219999999999999 112.37 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.22 -5.34 2.41 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.693 -0.765 . . . . 45.140000000000001 112.482 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 86' ' ' VAL . 86.5 m -98.08 134.84 40.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 60.119999999999997 111.123 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.61 114.87 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 70.120000000000005 111.073 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.754 ' CD1' HG11 ' A' ' 107' ' ' VAL . 26.3 p90 -120.22 141.42 49.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 72.129999999999995 110.935 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -91.15 136.04 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 72.219999999999999 110.845 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.685 HG12 ' CB ' ' A' ' 95' ' ' ALA . 34.4 m -138.92 172.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 62.310000000000002 111.129 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.54 ' HB3' HG23 ' A' ' 119' ' ' VAL . 35.5 t -62.8 158.45 18.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 55.25 110.833 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.55 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 111.129 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.24 -37.54 21.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 71.140000000000001 112.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 116' ' ' SER . 98.3 t -62.55 -49.06 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 52.450000000000003 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.643 ' CB ' HG21 ' A' ' 83' ' ' VAL . . . -51.9 -37.94 54.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 73.200000000000003 111.089 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -41.97 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 71.109999999999999 111.111 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.26 -44.71 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 55.119999999999997 110.88 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.5 mmm -51.74 -54.49 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.947 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.1 p -67.35 -29.33 68.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 55.310000000000002 111.141 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -73.04 -24.09 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 75.129999999999995 110.882 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -26.02 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 63.399999999999999 110.862 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.34 19.14 65.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 71.450000000000003 112.561 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 91' ' ' LEU . 9.7 mt -104.99 -25.25 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 62.039999999999999 110.925 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.8 150.0 52.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 64.129999999999995 111.048 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.595 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.0 ttt-85 -128.42 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 73.150000000000006 110.806 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.51 140.71 58.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.299999999999997 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 64.040000000000006 110.941 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.2 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.891 0.376 . . . . 74.0 111.126 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.1 m -83.82 116.72 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 51.32 111.205 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.49 134.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.95 130.56 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 111.145 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.24 140.56 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.329999999999998 111.055 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.3 mt -99.24 -21.68 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 54.149999999999999 110.96 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 22.2 m -140.09 155.71 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 64.409999999999997 111.166 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.94 103.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 62.43 110.904 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.948 HD13 HD13 ' A' ' 128' ' ' LEU . 12.9 tp -138.38 143.71 39.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 74.420000000000002 110.935 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.74 104.77 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 75.150000000000006 110.888 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.666 HG22 HG22 ' A' ' 107' ' ' VAL . 14.3 t -109.61 144.19 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 72.230000000000004 111.115 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -105.08 89.28 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.340000000000003 110.861 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.96 179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 61.109999999999999 111.069 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.67 126.76 9.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.450000000000003 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 117.07 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 110.84 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.51 -46.52 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 61.049999999999997 111.064 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -79.86 -27.46 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 74.519999999999996 111.117 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -117.84 -176.09 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 73.010000000000005 110.835 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -117.75 81.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 72.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.67 103.27 0.83 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 75.340000000000003 110.94 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.87 67.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 70.209999999999994 112.322 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 19.3 t -119.45 121.62 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 111.092 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.25 -22.86 8.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 111.097 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.52 130.21 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 73.140000000000001 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.765 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.39 159.14 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.209999999999994 111.162 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.64 21.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.683 . . . . 72.120000000000005 110.909 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.75 86.01 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.688 2.258 . . . . 53.5 112.359 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.56 -5.96 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 74.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.9 m -97.66 134.06 41.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 73.230000000000004 111.109 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.12 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 54.219999999999999 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.765 ' CD1' HG11 ' A' ' 107' ' ' VAL . 25.4 p90 -121.31 136.08 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 62.119999999999997 110.923 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -84.82 134.43 34.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.200000000000003 110.894 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 83' ' ' VAL . 27.7 m -136.56 172.46 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 60.020000000000003 111.137 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.69 145.89 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.854 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.15 -30.47 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 65.409999999999997 111.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.8 37.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 75.109999999999999 112.529 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.77 -48.58 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 74.420000000000002 111.134 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.656 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.71 -36.78 48.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 70.540000000000006 111.138 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.74 62.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 31.41 111.044 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -44.88 36.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 70.540000000000006 110.848 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 80.6 mmm -51.62 -54.33 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.836 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.5 p -68.92 -30.63 69.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 73.239999999999995 111.123 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.66 -14.18 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 73.120000000000005 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -22.54 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.239999999999995 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.73 29.32 52.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 70.349999999999994 112.49 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.948 HD13 HD13 ' A' ' 91' ' ' LEU . 19.3 mt -115.03 -23.8 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 73.310000000000002 110.953 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.96 149.57 50.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 72.400000000000006 111.066 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.596 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -125.41 146.98 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.319999999999993 110.868 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.72 128.32 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.450000000000003 110.906 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.95 0.405 . . . . 63.439999999999998 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -82.57 122.78 28.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 73.439999999999998 111.149 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 p -143.57 132.18 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.108 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.19 132.26 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 60.420000000000002 111.099 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.54 146.3 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 111.02 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.15 -21.53 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 72.129999999999995 110.856 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 10.0 m -141.65 156.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 72.310000000000002 111.132 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HG3' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -52.96 102.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 70.120000000000005 110.824 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.935 HD13 HD13 ' A' ' 128' ' ' LEU . 12.4 tp -137.07 143.36 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 65.409999999999997 110.914 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 14.9 m170 -96.78 105.28 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 71.219999999999999 110.809 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.661 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.64 146.81 35.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 71.010000000000005 111.146 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 89.34 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.717 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.39 113.09 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 63.219999999999999 111.12 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.32 122.52 33.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.019999999999996 110.954 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 126.91 18.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.91 -46.21 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 62.350000000000001 111.096 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -82.59 -32.46 28.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.010000000000005 111.141 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -108.71 -177.81 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 71.430000000000007 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -117.74 80.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.109999999999999 110.871 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -165.22 103.66 0.77 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 74.409999999999997 110.862 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.9 Cg_endo -69.79 154.54 67.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 63.340000000000003 112.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.6 t -127.23 120.4 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 42.140000000000001 111.149 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.37 -21.8 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 73.409999999999997 111.127 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 40.5 p90 -158.42 129.78 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 74.209999999999994 110.921 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.752 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.57 157.87 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 62.119999999999997 111.117 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.439 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.43 162.7 20.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.622 0.725 . . . . 43.439999999999998 110.964 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.86 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.716 2.277 . . . . 73.319999999999993 112.368 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.48 -5.78 2.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 45.200000000000003 112.487 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 86' ' ' VAL . 76.6 m -97.6 134.47 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 73.120000000000005 111.153 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.36 115.8 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.430000000000007 111.069 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.752 ' CD1' HG11 ' A' ' 107' ' ' VAL . 29.2 p90 -119.53 136.32 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.942 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -86.32 131.9 34.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.832 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.717 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.1 m -132.03 175.08 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 111.099 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.41 ' HB2' HG23 ' A' ' 119' ' ' VAL . 0.4 OUTLIER -71.89 148.21 46.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.497 . . . . 63.329999999999998 110.863 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.58 -35.62 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 51.450000000000003 111.044 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -27.05 53.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.814 -0.708 . . . . 44.509999999999998 112.447 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 116' ' ' SER . 97.8 t -72.96 -49.1 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 73.219999999999999 111.072 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.98 -38.09 55.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.030000000000001 111.131 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -41.79 60.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 33.409999999999997 111.125 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.1 -43.71 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 54.399999999999999 110.933 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.7 mmm -52.84 -54.48 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 72.030000000000001 110.861 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.7 p -66.03 -29.25 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 65.239999999999995 111.16 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.77 -23.41 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 65.409999999999997 110.944 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.91 -30.38 56.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 71.239999999999995 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.69 24.26 43.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 72.040000000000006 112.45 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.935 HD13 HD13 ' A' ' 91' ' ' LEU . 6.8 mt -114.09 -25.35 8.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 74.430000000000007 110.895 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.33 152.39 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.140000000000001 111.125 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.59 145.42 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.530000000000001 110.877 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.7 mtt -59.51 130.99 49.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 63.329999999999998 110.849 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 75.239999999999995 110.929 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.906 0.384 . . . . 71.140000000000001 111.074 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -81.53 125.21 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 74.530000000000001 111.155 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -147.35 131.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 111.095 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.86 131.63 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 60.329999999999998 111.118 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.42 142.38 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.120000000000005 111.097 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.4 mt -99.98 -21.45 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.219999999999999 110.944 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 31.6 m -141.53 156.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 60.439999999999998 111.111 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.04 102.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.430000000000007 110.937 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 128' ' ' LEU . 12.1 tp -137.86 143.17 40.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 74.25 110.924 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 21.5 m170 -97.24 105.01 17.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.911 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -109.52 146.64 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 54.310000000000002 111.134 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -109.55 89.39 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 72.219999999999999 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.712 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.01 122.05 27.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 72.25 111.124 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.46 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 71.200000000000003 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.36 124.54 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 71.209999999999994 110.864 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.84 -46.26 8.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 44.5 111.1 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.91 -31.59 31.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.441 . . . . 54.32 111.076 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.54 -177.28 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 72.239999999999995 110.861 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.94 80.57 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 73.209999999999994 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -165.15 103.52 0.78 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.616 0.722 . . . . 62.009999999999998 110.879 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.71 154.37 68.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.679 2.253 . . . . 74.450000000000003 112.344 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 t -126.75 118.61 51.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 60.229999999999997 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.59 -22.04 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 63.229999999999997 111.081 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.1 p90 -158.91 129.31 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 60.340000000000003 110.924 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.03 159.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 45.219999999999999 111.122 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.58 162.6 21.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 72.409999999999997 110.948 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.55 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 61.350000000000001 112.377 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.1 -7.26 2.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.732 . . . . 55.350000000000001 112.498 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.5 m -97.48 133.23 42.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.805 0.336 . . . . 73.430000000000007 111.144 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 114.8 26.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 53.140000000000001 111.099 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 29.3 p90 -118.48 138.94 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 73.349999999999994 110.884 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -88.68 133.25 34.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 73.420000000000002 110.847 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 95' ' ' ALA . 26.9 m -134.42 177.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.010000000000005 111.157 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.551 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.4 t -70.7 158.77 35.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.852 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.08 72.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.150000000000006 111.066 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.23 -35.28 27.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 63.210000000000001 112.447 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 116' ' ' SER . 98.5 t -65.51 -50.36 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 75.209999999999994 111.153 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.71 -37.28 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.229999999999997 111.1 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.64 -42.03 61.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 62.229999999999997 111.137 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.36 -42.52 44.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 73.530000000000001 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 83.5 mmm -54.25 -54.49 39.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 73.349999999999994 110.9 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.519999999999996 111.174 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.45 -23.16 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 65.340000000000003 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -79.14 -26.38 42.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 72.129999999999995 110.805 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.85 67.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 73.540000000000006 112.454 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 91' ' ' LEU . 11.3 mt -104.49 -25.12 12.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 75.230000000000004 110.871 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.96 149.4 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 72.129999999999995 111.105 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.532 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -129.86 148.31 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 75.109999999999999 110.854 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.5 mtt -67.9 127.19 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.540000000000006 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 51.130000000000003 110.902 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.4 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.991 0.424 . . . . 74.150000000000006 111.076 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.9 m -84.99 126.72 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 73.329999999999998 111.17 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.2 p -147.47 133.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 65.25 111.108 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -111.53 132.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.129999999999995 111.1 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 146.56 51.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 64.340000000000003 111.105 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.08 -25.81 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 72.040000000000006 110.915 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.418 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 13.1 m -138.15 157.09 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.430000000000007 111.195 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -52.88 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 65.540000000000006 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 128' ' ' LEU . 11.6 tp -139.97 143.01 36.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 73.109999999999999 110.934 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -95.69 104.94 16.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 71.299999999999997 110.839 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.675 HG22 HG22 ' A' ' 107' ' ' VAL . 14.2 t -111.36 142.03 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 64.109999999999999 111.21 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -109.71 88.26 2.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 72.030000000000001 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.702 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -132.1 112.0 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 75.040000000000006 111.138 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.79 138.57 31.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.019999999999996 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 124.21 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 45.310000000000002 110.873 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.67 -46.19 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 64.219999999999999 111.088 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.0 p -84.72 -43.87 13.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 43.450000000000003 111.211 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.9 -176.85 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 72.209999999999994 110.873 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -118.45 80.2 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 72.099999999999994 110.858 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.8 tt0 -165.56 102.0 0.75 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.634 0.73 . . . . 75.129999999999995 110.889 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.7 171.42 14.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 54.509999999999998 112.341 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -145.32 130.75 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 70.340000000000003 111.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.79 -32.01 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 51.450000000000003 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -149.86 131.25 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 70.409999999999997 110.921 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.75 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.21 157.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 72.0 111.121 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.79 20.68 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 64.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.81 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 52.329999999999998 112.335 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.37 -4.9 2.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.772 . . . . 75.230000000000004 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.1 m -98.07 134.89 40.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 60.240000000000002 111.131 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.7 115.04 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 63.039999999999999 111.088 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.75 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.7 p90 -118.67 135.27 54.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.319999999999993 110.828 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -86.1 132.43 34.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.230000000000004 110.829 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.702 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.0 m -132.79 177.44 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.030000000000001 111.162 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.7 t -71.02 158.78 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 72.040000000000006 110.868 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.76 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 71.310000000000002 111.084 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.42 -34.9 27.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 62.049999999999997 112.519 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.0 t -65.42 -49.99 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 62.399999999999999 111.115 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.673 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.74 -36.98 49.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.019999999999996 111.096 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.49 62.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.32 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -76.34 -43.57 40.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.872 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mmm -51.9 -54.39 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 71.120000000000005 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.2 p -65.56 -29.41 70.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 71.510000000000005 111.12 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.76 -23.15 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 53.229999999999997 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -27.63 54.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.9 64.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 63.340000000000003 112.454 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 91' ' ' LEU . 9.5 mt -107.26 -24.5 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 63.439999999999998 110.864 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.17 151.39 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 52.310000000000002 111.077 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -133.47 142.3 48.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.349999999999994 110.892 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -56.77 130.12 44.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 74.209999999999994 110.87 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.92 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.3 m . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.913 0.387 . . . . 64.319999999999993 111.15 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -84.02 125.05 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 64.030000000000001 111.103 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 p -145.63 133.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.310000000000002 111.095 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.31 132.11 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 62.539999999999999 111.066 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.0 147.1 50.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 71.549999999999997 111.086 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.19 -24.49 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 70.310000000000002 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.416 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 7.5 m -138.99 156.39 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 65.109999999999999 111.134 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -53.04 103.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 71.049999999999997 110.834 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.65 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -139.17 141.25 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.420000000000002 110.871 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -94.72 105.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 65.5 110.826 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.679 HG22 HG22 ' A' ' 107' ' ' VAL . 15.0 t -111.19 145.26 38.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 64.120000000000005 111.127 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -111.02 88.43 2.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.430000000000007 110.838 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.712 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -133.82 112.96 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 52.340000000000003 111.114 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.9 139.9 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.310000000000002 110.893 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 124.77 22.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.891 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.81 -45.74 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 73.120000000000005 111.056 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.3 m -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 70.319999999999993 111.11 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -97.35 -176.44 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.150000000000006 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -118.2 80.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.852 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 2.9 tt0 -165.27 102.78 0.77 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 74.299999999999997 110.893 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.9 Cg_endo -69.75 171.76 13.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 74.530000000000001 112.357 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -144.88 125.38 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 111.15 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.3 -21.77 6.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 63.310000000000002 111.086 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -159.12 129.35 5.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 74.120000000000005 110.842 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.763 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.1 158.0 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 74.129999999999995 111.151 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.1 mm? -113.53 162.81 20.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.571 0.7 . . . . 75.010000000000005 110.905 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.1 Cg_endo -69.83 86.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.644 2.229 . . . . 63.310000000000002 112.321 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.1 -4.9 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.725 . . . . 60.310000000000002 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.7 m -98.7 134.79 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 71.109999999999999 111.179 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.8 115.01 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 65.099999999999994 111.077 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.763 ' CD1' HG11 ' A' ' 107' ' ' VAL . 31.4 p90 -118.9 135.23 54.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.848 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -84.96 135.04 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.882 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.0 m -136.17 175.01 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 64.299999999999997 111.128 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.5 t -68.48 158.31 34.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 62.329999999999998 110.898 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.33 -33.43 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.450000000000003 111.099 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.73 25.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.77 . . . . 44.219999999999999 112.528 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.8 t -64.18 -50.08 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 75.129999999999995 111.175 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.82 -36.94 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.439999999999998 111.074 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.71 -42.57 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 64.409999999999997 111.11 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.38 -43.88 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.450000000000003 110.838 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.4 mmm -51.74 -54.42 28.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 72.129999999999995 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.2 p -66.3 -29.32 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 71.120000000000005 111.137 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.29 -23.14 59.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.230000000000004 110.81 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -79.25 -25.56 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.049999999999997 110.833 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.79 70.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 63.32 112.543 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.65 HD13 HD13 ' A' ' 91' ' ' LEU . 10.0 mt -104.2 -24.36 13.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 72.230000000000004 110.934 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.2 151.43 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 73.150000000000006 111.145 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -131.79 142.6 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 70.120000000000005 110.855 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.2 mtt -64.49 130.36 43.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 50.229999999999997 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 72.239999999999995 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.3 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.877 0.37 . . . . 52.340000000000003 111.149 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.6 m -84.32 118.04 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 111.161 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.31 133.33 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 65.140000000000001 111.167 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 111' ' ' THR . 2.1 p -112.25 129.97 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 71.420000000000002 111.119 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.38 149.26 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.350000000000001 111.098 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 130' ' ' ARG . 8.2 mt -107.34 -12.02 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 75.019999999999996 110.935 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.9 m -153.2 159.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 65.209999999999994 111.125 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -53.38 105.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 72.510000000000005 110.889 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 128' ' ' LEU . 15.1 tp -138.43 143.68 39.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 70.519999999999996 110.922 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -97.24 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 54.530000000000001 110.853 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.562 HG22 HG22 ' A' ' 107' ' ' VAL . 11.3 t -114.92 142.3 46.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 74.219999999999999 111.169 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.44 89.29 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 61.049999999999997 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.485 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.45 179.91 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 111.096 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.84 130.61 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 74.549999999999997 110.878 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 119.81 12.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 62.549999999999997 110.871 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.73 -46.56 10.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 71.310000000000002 111.091 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -26.22 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 65.219999999999999 111.102 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -118.32 -176.61 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 72.549999999999997 110.828 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -117.66 81.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.869 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -164.49 104.17 0.85 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 72.340000000000003 110.926 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.71 164.76 33.29 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.633 2.222 . . . . 71.120000000000005 112.343 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.485 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 89.0 t -130.12 130.69 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 111.116 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.47 -34.1 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 64.400000000000006 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -152.05 127.94 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.836 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.767 HG11 ' CD1' ' A' ' 113' ' ' PHE . 1.5 m -108.41 152.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 111.15 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.405 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -113.35 165.63 12.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.577 0.703 . . . . 72.230000000000004 110.911 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.82 92.29 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.692 2.262 . . . . 73.450000000000003 112.365 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.52 0.8 3.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.638 -0.791 . . . . 64.109999999999999 112.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.1 m -106.81 134.8 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 53.409999999999997 111.123 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -98.73 115.92 29.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 65.5 111.142 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.767 ' CD1' HG11 ' A' ' 107' ' ' VAL . 23.4 p90 -121.54 136.61 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.450000000000003 110.921 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -87.87 133.29 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.835 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 83' ' ' VAL . 28.8 m -135.09 172.92 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 53.140000000000001 111.169 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.2 145.55 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 75.430000000000007 110.813 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.56 -30.56 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 75.239999999999995 111.133 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.12 -28.74 48.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.837 -0.696 . . . . 72.299999999999997 112.456 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.97 -47.77 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 75.299999999999997 111.157 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.656 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.77 -37.33 50.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.25 111.149 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -42.52 61.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.299999999999997 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.21 -42.93 44.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 73.219999999999999 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.6 mmm -53.31 -54.39 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 61.520000000000003 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.1 p -65.03 -30.56 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 75.5 111.137 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.14 -22.22 59.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 63.399999999999999 110.855 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -77.0 -27.04 54.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 53.299999999999997 110.837 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.42 24.65 56.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 71.329999999999998 112.47 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 91' ' ' LEU . 8.8 mt -114.26 -24.98 8.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 64.450000000000003 110.954 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.91 150.22 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 30.420000000000002 111.085 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.467 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -132.32 147.17 52.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 110.872 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 1.3 mtt -59.83 137.95 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 65.450000000000003 110.828 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.209999999999994 110.861 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.816 0.257 . . . . 43.109999999999999 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.09 25.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.129999999999995 110.926 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.798 HG22 HG12 ' A' ' 76' ' ' ILE . 27.1 m -112.69 -52.94 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 64.010000000000005 111.139 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.91 47.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 70.319999999999993 111.113 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.798 HG12 HG22 ' A' ' 74' ' ' THR . 31.7 mm -129.31 112.69 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 111.134 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -88.16 99.52 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 73.530000000000001 110.942 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -136.69 108.07 6.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 53.520000000000003 110.879 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.4 p -116.66 20.32 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.149 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 t 54.88 35.65 24.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 74.129999999999995 110.88 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.35 72.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 70.239999999999995 110.867 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.933 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.2 mm? -66.45 148.33 52.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 72.340000000000003 110.923 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.663 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.8 m -119.51 134.41 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.25 111.112 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -82.2 123.75 29.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 61.329999999999998 111.13 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.76 131.85 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.549999999999997 111.112 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.46 131.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 111.137 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 142.47 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 111.12 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.7 mt -100.45 -20.79 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 110.935 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 15.4 m -142.08 156.39 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 72.109999999999999 111.112 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 102.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 64.430000000000007 110.916 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.817 HD13 HD13 ' A' ' 128' ' ' LEU . 12.4 tp -137.77 143.21 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 54.530000000000001 110.919 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 21.2 m170 -97.49 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 75.150000000000006 110.838 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 107' ' ' VAL . 14.9 t -109.52 146.88 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 72.329999999999998 111.136 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.65 89.38 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 70.209999999999994 110.832 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.707 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.04 121.55 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 61.539999999999999 111.113 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.56 122.47 41.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 53.109999999999999 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 124.61 13.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 73.439999999999998 110.812 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.933 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -90.81 -46.3 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 31.420000000000002 111.135 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -81.81 -31.69 31.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 72.540000000000006 111.13 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -110.59 -177.31 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.329999999999998 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.86 80.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 65.230000000000004 110.871 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.2 103.6 0.78 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 73.340000000000003 110.87 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.83 154.04 67.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 54.299999999999997 112.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.2 t -126.49 117.36 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.439999999999998 111.128 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.54 -21.64 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.409999999999997 111.112 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 29.2 p90 -159.08 129.52 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.510000000000005 110.866 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.31 159.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 64.349999999999994 111.118 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.64 162.61 21.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 72.230000000000004 110.898 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.706 2.271 . . . . 75.219999999999999 112.336 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.79 -6.97 2.14 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 40.030000000000001 112.471 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.4 134.35 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 72.25 111.119 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.16 113.76 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 55.420000000000002 111.107 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.5 p90 -118.24 140.84 49.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 61.219999999999999 110.888 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -90.34 136.22 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.239999999999995 110.83 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.707 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.4 m -137.79 178.55 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 63.240000000000002 111.143 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.6 t -70.43 159.64 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 61.229999999999997 110.837 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.21 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.219999999999999 111.06 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.93 28.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 62.549999999999997 112.473 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 116' ' ' SER . 94.6 t -66.34 -49.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 75.409999999999997 111.1 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.663 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.86 -37.59 52.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.540000000000006 111.087 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.68 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 73.530000000000001 111.106 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.19 -39.78 53.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 72.049999999999997 110.917 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.7 mmm -56.75 -54.46 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.109999999999999 110.867 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -66.32 -29.41 69.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 75.450000000000003 111.103 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.33 -22.01 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 74.310000000000002 110.854 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -77.54 -25.65 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 52.520000000000003 110.873 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.75 17.38 70.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 72.200000000000003 112.499 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.817 HD13 HD13 ' A' ' 91' ' ' LEU . 9.4 mt -106.51 -24.23 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 42.240000000000002 110.892 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.99 151.49 52.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 54.32 111.08 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.542 ' HB2' HD11 ' A' ' 88' ' ' LEU . 2.1 ttt85 -128.12 146.03 50.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 74.430000000000007 110.867 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.4 mtp -72.1 121.25 18.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 72.349999999999994 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 64.439999999999998 110.961 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.758 0.232 . . . . 65.420000000000002 112.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -100.06 -24.65 14.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 62.299999999999997 110.899 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.764 HG22 HG12 ' A' ' 76' ' ' ILE . 36.3 m -93.22 -51.43 5.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 64.510000000000005 111.137 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.9 t 61.79 44.83 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 51.100000000000001 111.131 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.764 HG12 HG22 ' A' ' 74' ' ' THR . 30.5 mm -129.81 111.78 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 61.32 111.157 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.02 125.02 51.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.888 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -153.34 117.52 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 75.150000000000006 110.79 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -125.27 20.41 8.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 111.117 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 p -149.92 69.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.833 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -160.41 81.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 73.150000000000006 110.933 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.956 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.2 mm? -71.17 148.96 46.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 63.340000000000003 110.869 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.1 m -120.66 134.46 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 72.329999999999998 111.211 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -82.11 123.88 29.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 61.310000000000002 111.153 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -144.94 131.87 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 111.069 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.45 131.71 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 63.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.19 142.6 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 70.409999999999997 111.127 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.2 mt -100.71 -20.54 15.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.530000000000001 110.912 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 24.2 m -142.11 156.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 73.340000000000003 111.171 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 102.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 71.219999999999999 110.861 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -137.86 143.27 40.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.239999999999995 110.922 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 12.1 m170 -97.51 105.07 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 65.340000000000003 110.842 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.57 146.52 34.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 111.174 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.33 89.36 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 70.430000000000007 110.813 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.709 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.93 121.73 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.540000000000006 111.097 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.64 122.35 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.109999999999999 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 125.12 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.883 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.956 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -91.31 -46.4 8.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.99 -31.13 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 32.119999999999997 111.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -110.98 -177.44 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 75.040000000000006 110.906 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -117.83 80.53 1.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 75.230000000000004 110.905 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.5 tt0 -165.15 103.64 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 73.209999999999994 110.833 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.8 154.36 67.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 73.450000000000003 112.351 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 t -126.77 117.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.120000000000005 111.188 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.76 -21.71 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.540000000000006 111.068 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 37.6 p90 -159.09 129.61 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.409999999999997 110.828 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.776 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.37 159.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 75.450000000000003 111.156 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.446 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.51 22.18 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.551 0.691 . . . . 52.32 110.969 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.5 Cg_endo -69.73 85.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 75.310000000000002 112.368 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.08 -7.17 2.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 74.239999999999995 112.472 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.24 134.37 40.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.791 0.329 . . . . 63.539999999999999 111.096 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.15 113.84 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 42.140000000000001 111.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.776 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.4 p90 -118.24 140.77 49.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 65.209999999999994 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -90.12 136.12 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.81 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.709 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.9 m -137.74 178.5 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 63.420000000000002 111.162 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.8 t -70.56 159.71 33.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 71.239999999999995 110.865 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.31 74.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 74.019999999999996 111.076 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -34.94 28.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 72.120000000000005 112.534 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.2 t -66.22 -49.85 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 72.200000000000003 111.181 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.85 -39.68 59.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 72.010000000000005 111.115 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -40.38 59.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 54.200000000000003 111.129 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -76.13 -42.42 46.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 65.129999999999995 110.903 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.9 mmm -56.14 -54.41 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 74.340000000000003 110.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.6 p -64.79 -29.9 70.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 70.099999999999994 111.092 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -75.95 -23.94 55.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 71.340000000000003 110.861 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -27.12 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.24 19.16 63.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 75.25 112.501 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 91' ' ' LEU . 14.0 mt -106.77 -25.73 11.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 73.200000000000003 110.917 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.93 151.39 51.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 65.109999999999999 111.092 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.56 ' HB2' HD11 ' A' ' 88' ' ' LEU . 69.1 ttt180 -130.1 148.59 51.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 63.420000000000002 110.795 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.1 mtt -69.75 130.45 42.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 71.150000000000006 110.819 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 65.340000000000003 110.931 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.787 0.245 . . . . 65.129999999999995 112.287 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.88 25.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 72.140000000000001 110.856 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.464 HG22 HG13 ' A' ' 76' ' ' ILE . 94.2 m -116.28 -41.18 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 63.009999999999998 111.094 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.2 t 57.48 61.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 70.129999999999995 111.136 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.464 HG13 HG22 ' A' ' 74' ' ' THR . 63.4 mt -148.06 113.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 75.209999999999994 111.109 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.43 126.89 53.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.420000000000002 110.883 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.42 82.29 2.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 44.530000000000001 110.862 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 p -146.55 173.43 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 111.142 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.1 m -148.99 58.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.882 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -139.82 82.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.519999999999996 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.2 mm? -67.36 148.25 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.540000000000006 110.921 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.646 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.5 m -119.9 133.65 65.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 35.310000000000002 111.12 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.9 m -82.92 117.5 22.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 111.178 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.29 132.22 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 72.510000000000005 111.096 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.49 130.27 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 111.162 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 140.79 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 130' ' ' ARG . 7.6 mt -99.6 -20.74 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 74.219999999999999 110.922 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 18.8 m -140.62 155.67 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 71.200000000000003 111.141 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.08 103.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 128' ' ' LEU . 12.8 tp -138.03 143.65 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 64.150000000000006 110.968 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -97.73 104.86 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.310000000000002 110.913 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 107' ' ' VAL . 13.5 t -109.37 144.62 37.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 43.340000000000003 111.174 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -105.66 89.25 3.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 62.119999999999997 110.854 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.8 -179.95 3.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 44.25 111.102 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 127.18 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 73.150000000000006 110.905 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 113.25 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 64.019999999999996 110.801 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.665 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -79.48 -46.42 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.158 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.6 p -78.53 -34.63 47.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.1 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.79 -175.68 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 72.409999999999997 110.913 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -117.76 81.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 71.209999999999994 110.83 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -164.32 102.98 0.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 54.299999999999997 110.921 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.71 156.93 62.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.773 2.316 . . . . 73.299999999999997 112.341 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 19.0 t -122.51 119.94 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 64.129999999999995 111.128 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.54 -22.25 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.219999999999999 111.078 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -159.08 130.19 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 74.230000000000004 110.829 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.76 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.21 158.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 65.230000000000004 111.12 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.52 162.76 20.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 74.150000000000006 110.901 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.75 86.02 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 73.510000000000005 112.398 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.33 -5.29 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 62.420000000000002 112.505 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 86' ' ' VAL . 78.9 m -98.25 133.89 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 62.420000000000002 111.126 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.19 115.9 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 111.124 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.76 ' CD1' HG11 ' A' ' 107' ' ' VAL . 25.3 p90 -121.25 135.96 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -85.18 135.86 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.310000000000002 110.907 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.427 ' O ' HD13 ' A' ' 82' ' ' LEU . 32.7 m -138.31 178.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 42.119999999999997 111.096 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 119' ' ' VAL . 32.8 t -70.45 159.19 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 62.039999999999999 110.805 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.68 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 73.129999999999995 111.158 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -35.2 27.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 73.140000000000001 112.419 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 116' ' ' SER . 91.8 t -65.75 -50.69 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 54.119999999999997 111.11 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.646 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.77 -37.29 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 55.399999999999999 111.065 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.31 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 52.240000000000002 111.064 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.26 -45.16 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 71.430000000000007 110.805 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 79.9 mmm -51.46 -54.37 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.9 p -65.17 -29.18 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.140000000000001 111.132 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.12 -26.31 60.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 63.340000000000003 110.919 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -24.63 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 71.450000000000003 110.9 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.06 73.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 75.239999999999995 112.486 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 91' ' ' LEU . 6.8 mt -103.79 -24.15 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 60.340000000000003 110.945 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.64 147.53 50.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 45.530000000000001 111.102 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.571 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.0 ttm-85 -124.89 151.05 45.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 72.340000000000003 110.856 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.9 mtp -76.9 113.68 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 74.519999999999996 110.844 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 61.43 110.942 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 CA--C 1.526 0.116 0 CA-C-O 120.763 0.234 . . . . 64.430000000000007 112.324 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.04 -41.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 74.209999999999994 110.869 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.754 HG22 HG12 ' A' ' 76' ' ' ILE . 26.9 m -113.02 -53.09 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 61.130000000000003 111.127 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.8 t 59.8 47.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 64.400000000000006 111.179 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.754 HG12 HG22 ' A' ' 74' ' ' THR . 32.1 mm -129.07 112.3 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.049999999999997 111.124 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.58 120.19 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 63.329999999999998 110.952 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -143.9 72.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 55.340000000000003 110.922 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.5 p -140.04 -178.21 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 72.530000000000001 111.138 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.5 p -141.9 67.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 64.109999999999999 110.819 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -147.98 77.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.239999999999995 110.84 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 98' ' ' ALA . 2.9 mm? -59.25 146.21 40.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.88 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.681 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.5 m -119.93 134.04 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 111.158 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -82.22 121.95 27.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.430000000000007 111.156 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.77 130.84 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 111.114 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.37 131.69 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.420000000000002 111.139 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.99 138.91 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 54.43 111.057 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.0 mt -95.01 -25.81 16.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 75.329999999999998 110.952 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 16.7 m -136.19 154.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 74.25 111.153 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HD2' HD13 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -52.95 105.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.129999999999995 110.883 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 128' ' ' LEU . 11.5 tp -140.42 143.39 35.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 72.409999999999997 110.95 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 11.3 m170 -95.95 105.17 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 62.310000000000002 110.858 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 107' ' ' VAL . 13.4 t -109.73 148.14 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 65.140000000000001 111.182 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -111.72 89.19 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 64.310000000000002 110.856 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.716 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.67 112.58 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.140000000000001 111.053 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.38 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 61.119999999999997 110.926 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 127.06 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 71.209999999999994 110.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.892 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -93.14 -46.35 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 52.210000000000001 111.085 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -82.47 -32.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.230000000000004 111.17 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -108.2 -177.9 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 63.149999999999999 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.71 80.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 63.310000000000002 110.856 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.28 103.51 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 71.219999999999999 110.896 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.2 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.709 2.273 . . . . 71.349999999999994 112.323 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.48 118.91 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.519999999999996 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.8 -21.08 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 60.409999999999997 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 33.1 p90 -159.13 129.04 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 110.815 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.761 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.61 158.77 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 73.049999999999997 111.16 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.489 HD13 ' HD2' ' A' ' 90' ' ' LYS . 2.4 mm? -113.59 162.68 21.27 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.744 . . . . 71.430000000000007 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.65 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 70.239999999999995 112.307 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.9 -6.23 2.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 63.409999999999997 112.492 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 85.3 m -97.54 133.97 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 75.549999999999997 111.116 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.66 115.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 53.520000000000003 111.104 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.761 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.6 p90 -119.2 136.28 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 70.329999999999998 110.899 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -85.72 133.14 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.716 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.9 m -133.62 178.12 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.120000000000005 111.136 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.89 148.37 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 65.230000000000004 110.833 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.65 -33.82 23.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 63.200000000000003 111.118 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.17 -28.86 47.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 72.109999999999999 112.467 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.4 -48.93 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 74.209999999999994 111.141 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.681 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.19 -37.76 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.450000000000003 111.072 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.57 -41.96 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 13.24 111.105 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.14 -45.95 31.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.875 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.9 mmm -50.49 -54.36 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 110.918 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.4 p -65.11 -29.14 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.230000000000004 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -73.36 -24.85 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.937 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.18 54.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 71.340000000000003 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.67 19.13 74.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 54.420000000000002 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 91' ' ' LEU . 5.2 mt -107.14 -24.55 11.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.798 0.332 . . . . 74.439999999999998 110.978 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.95 154.06 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.150000000000006 111.083 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.563 ' HB2' HD11 ' A' ' 88' ' ' LEU . 1.8 ttt85 -134.25 145.62 49.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.519999999999996 110.818 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.5 mtt -63.64 145.9 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.450000000000003 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 64.400000000000006 110.918 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.848 0.27 . . . . 72.040000000000006 112.318 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.57 -38.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 72.409999999999997 110.896 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.782 HG22 HG12 ' A' ' 76' ' ' ILE . 27.0 m -113.14 -53.1 2.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 63.5 111.141 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.98 47.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 73.420000000000002 111.099 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.782 HG12 HG22 ' A' ' 74' ' ' THR . 31.7 mm -129.44 118.08 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.319999999999993 111.099 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tt -121.27 107.38 12.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 71.510000000000005 110.887 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -140.2 51.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.400000000000006 110.852 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.2 p -141.26 -179.89 6.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.140000000000001 111.186 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.64 48.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 74.209999999999994 110.811 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -111.2 63.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.329999999999998 110.85 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.981 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.0 mm? -65.58 137.14 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 73.519999999999996 110.911 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.1 m -106.93 133.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 63.509999999999998 111.065 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.5 m -84.36 121.32 27.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 65.019999999999996 111.119 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.37 132.93 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 70.129999999999995 111.15 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -108.41 132.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 111.148 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.14 143.84 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 43.039999999999999 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 130' ' ' ARG . 16.3 mt -100.17 -22.11 15.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 71.129999999999995 110.939 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 14.4 m -142.36 157.11 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 72.049999999999997 111.099 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.02 102.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 71.129999999999995 110.861 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.845 HD13 HD13 ' A' ' 128' ' ' LEU . 12.2 tp -138.05 142.8 40.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 51.039999999999999 110.927 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 10.9 m170 -96.74 105.24 17.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 71.310000000000002 110.867 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 107' ' ' VAL . 14.8 t -110.06 147.57 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 62.119999999999997 111.082 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -111.01 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 74.530000000000001 110.849 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.726 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.8 113.25 14.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 71.420000000000002 111.108 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.18 122.58 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 65.349999999999994 110.9 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 126.57 18.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 73.409999999999997 110.834 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.981 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -91.94 -46.12 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 72.129999999999995 111.065 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -37.3 25.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 75.430000000000007 111.142 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -103.55 -177.77 3.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 73.230000000000004 110.842 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.84 80.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 63.240000000000002 110.859 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.0 OUTLIER -165.13 104.0 0.78 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 73.129999999999995 110.915 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.2 Cg_endo -69.75 154.27 68.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 63.310000000000002 112.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.1 t -126.22 120.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 54.149999999999999 111.069 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.57 -22.22 8.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 71.430000000000007 111.07 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 43.8 p90 -159.05 128.93 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 65.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.783 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -115.1 158.91 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 111.136 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.69 162.77 20.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 61.109999999999999 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.73 85.16 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.711 2.274 . . . . 70.0 112.298 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.16 -7.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 62.039999999999999 112.461 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.1 m -97.21 134.42 40.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 72.299999999999997 111.112 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.04 114.18 25.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 64.409999999999997 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.783 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.6 p90 -117.5 141.02 48.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.420000000000002 110.845 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -89.05 136.71 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 110.917 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.726 HG12 ' CB ' ' A' ' 95' ' ' ALA . 30.5 m -137.63 177.31 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 111.191 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.73 146.79 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 72.430000000000007 110.823 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.02 -33.73 26.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 72.319999999999993 111.089 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.05 -27.09 54.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 75.140000000000001 112.552 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.86 -48.5 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.317 . . . . 64.349999999999994 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.67 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.91 -37.2 51.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 72.230000000000004 111.132 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.48 61.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 63.240000000000002 111.038 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.06 -43.0 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 72.549999999999997 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.4 mmm -53.04 -54.35 36.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 75.299999999999997 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.1 p -66.0 -29.43 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 62.039999999999999 111.101 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -22.87 58.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 72.230000000000004 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -77.03 -25.26 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 72.239999999999995 110.86 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.02 23.19 61.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 62.25 112.394 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.845 HD13 HD13 ' A' ' 91' ' ' LEU . 9.2 mt -112.2 -24.65 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.877 0.37 . . . . 62.240000000000002 110.941 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.97 158.46 38.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.230000000000004 111.12 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.566 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -140.07 142.89 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 75.019999999999996 110.869 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.1 mtt -62.6 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.129999999999995 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.340000000000003 110.953 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.755 0.231 . . . . 72.400000000000006 112.349 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.61 -25.08 14.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 75.540000000000006 110.855 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.444 HG22 HG13 ' A' ' 76' ' ' ILE . 97.8 m -98.23 -38.55 9.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 111.202 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t 58.12 60.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 45.539999999999999 111.125 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.444 HG13 HG22 ' A' ' 74' ' ' THR . 61.3 mt -148.77 110.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 61.310000000000002 111.107 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.05 118.43 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 63.130000000000003 110.929 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.06 88.77 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.439999999999998 110.85 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 p -142.04 165.77 26.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.540000000000006 111.161 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -129.23 58.02 1.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 74.230000000000004 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -136.31 73.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 72.530000000000001 110.949 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.982 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.1 mm? -78.38 132.98 37.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 75.310000000000002 110.87 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.695 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.0 m -101.5 134.71 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 111.18 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 m -84.28 121.11 27.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 60.310000000000002 111.057 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 p -140.36 132.55 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 71.040000000000006 111.11 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.44 132.18 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 71.510000000000005 111.111 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.98 143.94 52.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 41.240000000000002 111.155 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 130' ' ' ARG . 9.1 mt -100.76 -21.58 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.129999999999995 110.943 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 7.3 m -142.46 157.3 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.329999999999998 111.167 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.200000000000003 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.98 HD13 HD13 ' A' ' 128' ' ' LEU . 11.9 tp -137.65 143.38 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.549999999999997 110.959 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 14.7 m170 -97.16 105.18 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.340000000000003 110.81 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.68 HG22 HG22 ' A' ' 107' ' ' VAL . 15.2 t -109.81 147.84 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 63.219999999999999 111.185 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -111.43 89.23 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 75.049999999999997 110.936 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.715 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.26 112.58 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 111.063 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.59 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.030000000000001 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 127.06 19.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 71.140000000000001 110.836 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.982 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -93.04 -46.36 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 111.119 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.52 -31.83 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 62.149999999999999 111.078 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -109.54 -177.79 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.319999999999993 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.69 80.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 54.299999999999997 110.826 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.1 tt0 -165.29 103.56 0.77 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.725 0.774 . . . . 73.310000000000002 110.887 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.8 154.29 67.75 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.66 2.24 . . . . 73.530000000000001 112.33 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.02 120.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 71.439999999999998 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.03 -21.65 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 74.209999999999994 111.095 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.4 p90 -159.02 129.37 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 74.099999999999994 110.949 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.774 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.17 158.86 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.129999999999995 111.11 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.55 22.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 71.040000000000006 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.72 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 74.349999999999994 112.322 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.31 -7.46 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 71.400000000000006 112.423 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.07 134.55 40.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 72.030000000000001 111.097 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.44 113.88 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 65.120000000000005 111.103 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.774 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.2 p90 -117.37 136.19 53.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 73.340000000000003 110.905 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -86.02 133.26 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.839 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.715 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.5 m -133.29 178.05 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 73.5 111.153 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.57 148.12 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.809 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.57 -35.38 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 60.009999999999998 111.048 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -27.04 53.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 72.129999999999995 112.465 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.45 -48.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 64.120000000000005 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.09 -41.09 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.319999999999993 111.156 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.26 -39.62 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.140000000000001 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.2 -43.7 41.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.863 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 86.6 mmm -54.31 -54.51 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.1 p -63.99 -29.4 70.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 71.120000000000005 111.144 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.06 -24.42 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 72.219999999999999 110.928 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -76.67 -26.19 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 73.099999999999994 110.911 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.37 28.06 49.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 61.210000000000001 112.531 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.98 HD13 HD13 ' A' ' 91' ' ' LEU . 5.5 mt -116.64 -26.35 7.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 64.430000000000007 110.876 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.68 153.66 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.310000000000002 111.066 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.666 ' HB2' HD21 ' A' ' 88' ' ' LEU . 5.6 ttt-85 -133.32 142.17 48.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 110.877 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.12 137.83 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 75.049999999999997 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.549999999999997 110.875 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.754 0.231 . . . . 60.5 112.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.41 -68.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 74.150000000000006 110.836 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.514 HG22 HG12 ' A' ' 76' ' ' ILE . 90.2 m -92.38 -55.7 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.439999999999998 111.149 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 t 60.22 39.13 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 63.32 111.122 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.514 HG12 HG22 ' A' ' 74' ' ' THR . 50.5 mm -120.59 114.54 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 73.099999999999994 111.125 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.29 102.37 8.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 61.229999999999997 110.872 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -120.03 86.6 2.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 61.219999999999999 110.866 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -137.46 175.56 9.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 71.430000000000007 111.155 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -138.75 60.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 51.43 110.902 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -122.8 70.61 1.01 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 73.109999999999999 110.888 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.925 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.0 mm? -60.41 147.06 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 71.099999999999994 110.892 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.8 m -120.13 134.13 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.019999999999996 111.162 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 m -82.68 122.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 71.540000000000006 111.159 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -143.16 131.49 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 74.030000000000001 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.33 132.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.420000000000002 111.16 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.45 144.82 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.109999999999999 111.096 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 130' ' ' ARG . 9.6 mt -101.55 -20.93 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 73.239999999999995 110.857 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 15.5 m -142.14 156.04 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 111.111 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HG3' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -52.95 102.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 73.219999999999999 110.888 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.705 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -137.18 143.19 42.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 71.519999999999996 110.901 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 5.6 m-70 -96.62 105.21 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.439999999999998 110.863 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.662 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.49 147.23 34.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 74.430000000000007 111.086 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -111.0 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 73.409999999999997 110.873 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.721 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.3 112.58 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 63.210000000000001 111.127 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 122.54 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 62.399999999999999 110.942 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 126.9 18.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 72.349999999999994 110.918 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.925 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -92.99 -46.23 7.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 73.140000000000001 111.05 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 t -82.63 -31.77 28.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 61.340000000000003 111.151 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -109.56 -177.81 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 72.109999999999999 110.826 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.63 80.41 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 74.109999999999999 110.862 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -165.27 103.69 0.77 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 64.530000000000001 110.845 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.4 Cg_endo -69.9 154.32 67.3 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 71.340000000000003 112.332 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.01 120.19 54.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 35.310000000000002 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.11 -21.87 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 111.08 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 38.2 p90 -158.55 129.47 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 110.827 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.762 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.54 158.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 73.549999999999997 111.154 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.42 162.75 20.75 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.714 . . . . 74.510000000000005 110.912 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.52 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 75.430000000000007 112.266 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.71 -6.85 2.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 70.129999999999995 112.51 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.0 m -97.16 133.57 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 53.450000000000003 111.149 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.75 115.66 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 63.109999999999999 111.116 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.762 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.1 p90 -119.3 141.76 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 71.239999999999995 110.875 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -90.04 135.51 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 74.349999999999994 110.886 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.721 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.7 m -136.91 178.23 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 71.209999999999994 111.128 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.37 147.34 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 62.049999999999997 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.07 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 71.239999999999995 111.066 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.01 -28.52 49.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 53.32 112.473 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.8 t -76.55 -47.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.409999999999997 111.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.86 -36.81 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 73.010000000000005 111.073 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -42.94 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.209999999999994 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.12 -45.54 33.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 74.219999999999999 110.929 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.3 mmm -51.13 -48.71 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 73.150000000000006 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.5 p -75.63 -29.39 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 65.340000000000003 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -22.36 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 110.931 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -22.92 31.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 75.409999999999997 110.837 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.71 16.36 75.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 63.409999999999997 112.48 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.705 HD13 HD13 ' A' ' 91' ' ' LEU . 7.3 mt -99.19 -24.54 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 75.019999999999996 110.87 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.4 151.15 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 70.219999999999999 111.102 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.565 ' HB2' HD11 ' A' ' 88' ' ' LEU . 12.0 ttt180 -129.95 148.55 51.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.869 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.0 mtt -68.07 130.97 44.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.319999999999993 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 64.129999999999995 110.918 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.8 0.25 . . . . 73.400000000000006 112.316 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.82 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 75.040000000000006 110.847 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.461 HG22 HG13 ' A' ' 76' ' ' ILE . 96.0 m -123.23 -41.9 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 111.195 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.6 t 57.38 62.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 44.130000000000003 111.115 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.461 HG13 HG22 ' A' ' 74' ' ' THR . 63.4 mt -148.04 119.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.010000000000005 111.172 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.75 116.72 32.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 75.129999999999995 110.909 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -133.07 80.76 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 63.130000000000003 110.866 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 p -134.22 -178.34 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.010000000000005 111.133 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.0 m -144.65 62.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.849 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -139.58 72.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 72.430000000000007 110.876 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 115' ' ' VAL . 0.7 OUTLIER -59.21 144.35 46.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.928 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.6 m -122.18 135.43 62.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 71.549999999999997 111.153 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -85.53 114.98 22.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 62.340000000000003 111.175 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.05 135.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 74.319999999999993 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -111.77 130.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.140000000000001 111.084 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.96 141.85 52.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 14.31 111.171 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 130' ' ' ARG . 7.6 mt -100.08 -20.49 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 72.310000000000002 110.924 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 30.3 m -141.12 155.85 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 54.450000000000003 111.21 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -53.14 103.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 61.409999999999997 110.927 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 128' ' ' LEU . 12.8 tp -139.19 141.58 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 55.299999999999997 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -96.29 104.99 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.817 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 107' ' ' VAL . 13.6 t -109.51 144.69 37.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 74.329999999999998 111.17 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -105.75 89.29 3.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 110.848 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -117.5 -179.93 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 61.219999999999999 111.144 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.68 127.02 9.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 63.509999999999998 110.932 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 63.130000000000003 110.86 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.41 -46.42 16.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 63.539999999999999 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -37.55 40.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 74.439999999999998 111.127 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -107.14 -175.97 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 75.549999999999997 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.88 81.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 65.349999999999994 110.855 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -164.3 103.83 0.87 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 51.450000000000003 110.909 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 155.7 65.55 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.614 2.209 . . . . 72.140000000000001 112.4 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 18.4 t -120.27 120.46 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 73.239999999999995 111.097 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.15 -22.5 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 111.042 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -158.95 129.83 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.400000000000006 110.921 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.761 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.58 158.16 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 52.43 111.18 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.452 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.83 20.52 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 65.219999999999999 110.944 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.75 85.64 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.766 2.311 . . . . 53.340000000000003 112.254 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.88 -5.78 2.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 64.109999999999999 112.508 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.6 m -98.04 134.96 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 63.420000000000002 111.115 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.1 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 111.084 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.761 ' CD1' HG11 ' A' ' 107' ' ' VAL . 24.6 p90 -121.46 136.49 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 75.140000000000001 110.926 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.6 ' HB3' HD12 ' A' ' 82' ' ' LEU . 8.3 mtp180 -84.94 135.02 34.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 75.519999999999996 110.885 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.701 ' O ' HD13 ' A' ' 82' ' ' LEU . 30.5 m -137.44 170.8 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 42.100000000000001 111.139 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 144.78 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 74.319999999999993 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.56 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 60.439999999999998 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -29.46 45.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 63.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.14 -48.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 63.520000000000003 111.02 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.88 -37.31 51.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.5 111.085 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 51.039999999999999 111.131 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.27 -42.77 44.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 65.230000000000004 110.838 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.2 mmm -53.94 -54.51 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -64.45 -29.36 70.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 63.439999999999998 111.108 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -75.81 -23.57 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.319999999999993 110.843 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -76.11 -25.7 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.896 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 34.009999999999998 112.521 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 91' ' ' LEU . 8.5 mt -114.48 -25.04 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 64.25 110.94 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -133.34 149.65 51.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.129999999999995 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -133.56 145.74 50.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 72.420000000000002 110.933 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -59.43 138.51 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 110.855 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 73.450000000000003 110.873 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.191 0 CA-C-O 120.729 0.221 . . . . 71.209999999999994 112.396 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.28 25.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 65.409999999999997 110.916 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.451 HG22 HG13 ' A' ' 76' ' ' ILE . 94.5 m -113.31 -40.95 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.450000000000003 111.143 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t 57.68 61.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 72.420000000000002 111.082 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.451 HG13 HG22 ' A' ' 74' ' ' THR . 63.9 mt -148.12 119.74 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 111.126 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.45 120.19 21.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 63.43 110.912 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -132.71 103.38 6.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 73.519999999999996 110.886 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.2 p -112.69 19.69 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 54.520000000000003 111.164 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.28 34.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 65.530000000000001 110.77 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.41 56.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 110.879 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.999 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.2 mm? -59.12 147.65 34.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.030000000000001 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.4 m -118.87 134.3 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 61.140000000000001 111.076 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 132' ' ' GLN . 3.5 m -82.13 120.71 25.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 73.519999999999996 111.115 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 131' ' ' MET . 29.3 t -140.72 130.84 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 64.239999999999995 111.153 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -110.34 130.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.450000000000003 111.155 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.01 142.78 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 32.329999999999998 111.106 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.719 HD21 ' CB ' ' A' ' 130' ' ' ARG . 8.7 mt -101.41 -20.01 15.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 71.349999999999994 110.949 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 14.6 m -142.19 155.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.219999999999999 111.171 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 102.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 51.119999999999997 110.873 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -138.15 142.98 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 110.917 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 6.9 m-70 -97.43 105.07 17.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.856 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.674 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -109.52 147.04 33.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 71.230000000000004 111.12 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.78 89.25 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 71.010000000000005 110.898 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.704 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.97 121.79 27.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 63.450000000000003 111.055 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.45 42.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 72.310000000000002 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 124.31 13.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 65.230000000000004 110.895 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.999 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -90.57 -46.16 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 43.210000000000001 111.128 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 m -81.77 -32.58 31.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 111.122 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -109.63 -177.36 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 64.140000000000001 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -117.83 80.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.209999999999994 110.94 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -165.09 103.54 0.78 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.603 0.716 . . . . 73.109999999999999 110.906 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.78 154.54 67.54 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.719 2.279 . . . . 62.210000000000001 112.358 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.13 117.29 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 52.43 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.55 -21.8 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 41.009999999999998 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.7 p90 -158.99 129.6 5.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 74.540000000000006 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.77 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.38 158.83 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 52.310000000000002 111.175 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.53 162.67 21.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 45.009999999999998 110.942 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.77 86.33 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.68 2.253 . . . . 72.510000000000005 112.321 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.84 -5.98 2.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 44.210000000000001 112.482 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 96.1 m -98.27 134.15 41.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 32.329999999999998 111.092 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.46 114.0 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 52.030000000000001 111.09 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.77 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.0 p90 -118.31 137.44 53.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 73.400000000000006 110.904 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -87.64 135.49 33.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 54.43 110.843 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.704 HG12 ' CB ' ' A' ' 95' ' ' ALA . 32.3 m -137.1 178.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.209999999999994 111.121 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.535 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.9 t -70.89 159.4 34.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 73.420000000000002 110.88 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.29 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 20.52 111.059 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.19 -35.32 27.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 35.409999999999997 112.48 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 116' ' ' SER . 94.9 t -65.78 -50.04 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 51.149999999999999 111.124 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.94 -41.88 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.54 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.540000000000006 111.077 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.03 -48.96 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 74.200000000000003 110.885 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 66.8 mmm -52.06 -54.4 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.911 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.491 HG21 ' CG ' ' A' ' 131' ' ' MET . 62.7 p -64.43 -31.49 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 111.158 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -69.95 -24.69 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 71.310000000000002 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.36 -27.33 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 71.010000000000005 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.47 21.36 54.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 35.119999999999997 112.522 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 91' ' ' LEU . 6.6 mt -107.6 -30.59 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 35.240000000000002 110.914 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.82 151.72 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 63.130000000000003 111.094 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.719 ' CB ' HD21 ' A' ' 88' ' ' LEU . 49.3 ttt-85 -124.53 127.18 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 110.84 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.664 ' HA ' HG22 ' A' ' 85' ' ' VAL . 11.5 mtp -51.64 135.17 29.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 64.519999999999996 110.893 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.466 ' HB3' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 44.140000000000001 110.907 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.205 0 CA-C-O 120.841 0.267 . . . . 74.209999999999994 112.317 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.57 -38.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 62.310000000000002 110.811 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.792 HG22 HG12 ' A' ' 76' ' ' ILE . 26.9 m -113.11 -53.04 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 73.239999999999995 111.17 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.8 t 59.89 47.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 42.509999999999998 111.191 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.792 HG12 HG22 ' A' ' 74' ' ' THR . 32.1 mm -129.27 118.35 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 72.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 129.05 56.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 110.896 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -156.2 116.08 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 70.129999999999995 110.819 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.4 p -118.47 20.19 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.010000000000005 111.16 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.94 33.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 70.439999999999998 110.823 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -130.45 65.17 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.109999999999999 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.982 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.0 mm? -61.37 148.53 41.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 110.886 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 120' ' ' ALA . 12.6 m -120.65 133.76 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 71.439999999999998 111.167 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.9 m -82.39 124.05 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 52.310000000000002 111.155 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.67 132.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 73.25 111.124 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.28 132.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 53.350000000000001 111.133 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.58 144.94 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 55.229999999999997 111.071 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.5 mt -103.23 -18.36 14.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.230000000000004 110.925 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 27.5 m -143.74 155.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 62.32 111.088 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.23 102.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.914 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.762 HD13 HD13 ' A' ' 128' ' ' LEU . 12.5 tp -137.96 140.97 40.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 32.229999999999997 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -95.45 105.17 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 71.340000000000003 110.923 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.21 145.72 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 73.430000000000007 111.186 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.45 89.37 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 110.828 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.724 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.84 115.91 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.129999999999995 111.145 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.39 122.49 34.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 72.340000000000003 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 125.69 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 64.340000000000003 110.859 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.982 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -90.78 -46.13 8.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 45.5 111.05 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -39.95 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 43.149999999999999 111.136 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -177.77 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 74.540000000000006 110.922 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.82 80.1 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.885 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -165.2 103.94 0.78 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 72.430000000000007 110.851 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.69 2.26 . . . . 70.430000000000007 112.299 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.4 t -125.9 120.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.125 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.26 -21.79 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 50.100000000000001 111.141 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -159.06 128.87 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.230000000000004 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.765 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.71 158.14 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 72.430000000000007 111.12 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.51 162.83 20.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 70.140000000000001 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.77 84.52 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.213 . . . . 63.549999999999997 112.372 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.12 -7.95 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 70.519999999999996 112.482 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.4 m -96.59 134.01 40.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 70.219999999999999 111.171 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.6 115.89 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 55.009999999999998 111.156 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.765 ' CD1' HG11 ' A' ' 107' ' ' VAL . 28.8 p90 -120.01 142.64 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.902 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -91.05 136.08 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.420000000000002 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.724 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.8 m -137.9 178.37 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 31.309999999999999 111.129 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.544 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.3 t -70.61 159.29 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 72.340000000000003 110.926 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.11 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 72.409999999999997 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.22 27.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.774 . . . . 62.229999999999997 112.421 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.544 HG23 ' HB3' ' A' ' 116' ' ' SER . 95.6 t -65.85 -50.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.328 . . . . 65.420000000000002 111.109 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.666 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.79 -38.01 53.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.420000000000002 111.02 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.65 -43.4 62.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.31 -0.405 . . . . 70.310000000000002 111.065 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.28 -36.95 58.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 72.140000000000001 110.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 78.5 mmm -59.16 -54.47 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.299999999999997 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -66.53 -29.33 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.439999999999998 111.186 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -77.26 -22.26 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -76.91 -25.26 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 55.43 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.25 74.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 71.420000000000002 112.5 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.762 HD13 HD13 ' A' ' 91' ' ' LEU . 10.2 mt -104.54 -24.4 13.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 72.129999999999995 110.9 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.54 155.36 47.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 45.149999999999999 111.126 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.643 ' HB2' HD11 ' A' ' 88' ' ' LEU . 8.7 ttt180 -131.71 143.46 50.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.878 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 mtp -72.25 127.17 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 52.119999999999997 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 71.099999999999994 110.949 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.872 0.28 . . . . 70.209999999999994 112.348 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.91 -40.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.239999999999995 110.865 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.796 HG22 HG12 ' A' ' 76' ' ' ILE . 26.9 m -112.98 -53.03 2.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 62.439999999999998 111.152 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.82 47.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 73.010000000000005 111.155 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.796 HG12 HG22 ' A' ' 74' ' ' THR . 31.7 mm -129.09 131.46 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 75.019999999999996 111.14 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.57 114.33 6.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 71.329999999999998 110.895 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -121.49 87.97 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 53.5 110.82 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.5 p -137.75 148.49 45.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 111.128 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 m 53.76 56.3 7.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 73.049999999999997 110.805 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.98 80.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 74.319999999999993 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.847 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.2 mm? -78.02 148.0 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.859 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.1 m -118.97 134.21 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 54.32 111.123 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 m -82.42 122.65 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 111.157 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.48 134.0 25.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 73.030000000000001 111.151 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 111' ' ' THR . 2.0 p -112.63 130.89 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 71.019999999999996 111.109 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.56 154.28 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.349999999999994 111.064 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 130' ' ' ARG . 8.4 mt -110.82 -11.72 14.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 63.310000000000002 110.946 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.6 159.95 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -53.38 104.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.924 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.712 HD13 HD13 ' A' ' 128' ' ' LEU . 15.5 tp -137.17 144.22 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 72.430000000000007 110.945 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -96.95 105.19 17.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 45.25 110.813 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 107' ' ' VAL . 8.6 t -116.31 146.93 42.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 111.148 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -114.17 89.21 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 72.019999999999996 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.71 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -127.72 112.94 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 64.019999999999996 111.09 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -89.64 122.55 32.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.109999999999999 110.886 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 127.02 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.409999999999997 110.86 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.847 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -92.97 -46.21 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 63.43 111.171 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 t -82.82 -31.32 28.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 71.099999999999994 111.195 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -109.82 -177.84 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.898 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.67 80.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 63.020000000000003 110.825 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.2 103.8 0.78 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 74.310000000000002 110.907 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.75 158.89 55.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 51.329999999999998 112.373 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.17 131.77 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.450000000000003 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.16 -33.31 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 71.519999999999996 111.141 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -152.16 126.31 9.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 62.420000000000002 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 ' CD1' ' A' ' 113' ' ' PHE . 1.7 m -105.94 151.51 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 75.349999999999994 111.131 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.32 165.81 12.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.584 0.707 . . . . 75.299999999999997 110.959 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.639 2.226 . . . . 63.420000000000002 112.362 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.35 -0.54 3.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 71.230000000000004 112.506 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.0 m -105.05 135.41 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 74.409999999999997 111.172 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.18 115.66 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 61.439999999999998 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.754 ' CD1' HG11 ' A' ' 107' ' ' VAL . 26.2 p90 -120.24 142.57 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 74.420000000000002 110.936 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -92.76 135.1 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 74.310000000000002 110.926 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.71 HG12 ' CB ' ' A' ' 95' ' ' ALA . 32.3 m -137.21 178.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 73.120000000000005 111.119 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 119' ' ' VAL . 32.1 t -69.94 159.83 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 110.81 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 62.439999999999998 111.136 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.07 -35.53 27.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 61.109999999999999 112.575 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 116' ' ' SER . 84.8 t -65.56 -50.07 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 64.109999999999999 111.166 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.98 -36.75 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 64.530000000000001 111.123 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.31 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 73.109999999999999 111.146 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.18 -46.06 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.049999999999997 110.871 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 75.9 mmm -51.35 -52.7 43.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.420000000000002 110.828 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -69.54 -29.29 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 34.149999999999999 111.111 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.48 -24.78 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 71.450000000000003 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -22.87 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.010000000000005 110.874 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.01 -2.63 87.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 60.229999999999997 112.511 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.712 HD13 HD13 ' A' ' 91' ' ' LEU . 15.8 mt -77.03 -23.38 52.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 75.519999999999996 110.902 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -139.16 151.39 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.439999999999998 111.16 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.643 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -127.09 144.0 51.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 71.540000000000006 110.807 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.0 mtt -68.62 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 75.439999999999998 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.540000000000006 110.961 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.693 0.205 . . . . 75.510000000000005 112.369 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.68 -40.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 52.100000000000001 110.799 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.769 HG22 HG12 ' A' ' 76' ' ' ILE . 27.1 m -113.16 -53.14 2.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 71.200000000000003 111.055 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.93 47.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 64.140000000000001 111.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.769 HG12 HG22 ' A' ' 74' ' ' THR . 31.4 mm -129.31 124.77 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 64.420000000000002 111.119 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 102.87 3.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 62.399999999999999 110.908 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -129.72 37.37 3.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 74.349999999999994 110.825 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.1 p -148.31 179.03 8.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 71.510000000000005 111.167 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.4 t -152.58 71.49 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 73.019999999999996 110.836 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -129.65 76.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 63.310000000000002 110.863 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 150.06 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 65.040000000000006 110.91 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.69 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.2 m -130.59 136.36 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 111.17 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 132' ' ' GLN . 3.4 m -84.06 120.72 26.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 52.240000000000002 111.151 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 131' ' ' MET . 28.9 t -140.36 132.0 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 72.409999999999997 111.129 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -110.71 132.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 111.101 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.36 137.58 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 52.210000000000001 111.126 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.716 HD21 ' CB ' ' A' ' 130' ' ' ARG . 7.7 mt -93.2 -28.03 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 60.399999999999999 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 28.3 m -134.48 154.63 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 62.420000000000002 111.119 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' HD2' HD13 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -52.94 106.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 110.957 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 128' ' ' LEU . 11.2 tp -142.01 143.25 33.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 52.439999999999998 110.928 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 10.9 m-70 -95.79 104.99 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.519999999999996 110.893 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.708 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.7 142.95 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.099999999999994 111.134 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.44 89.06 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.875 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.679 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -128.95 121.1 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 71.299999999999997 111.194 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.74 122.21 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 60.009999999999998 110.912 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 123.28 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 71.349999999999994 110.853 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.45 -46.13 8.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 65.239999999999995 111.146 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -81.92 -36.86 27.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.040000000000006 111.177 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -104.46 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 73.530000000000001 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.98 80.43 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 63.329999999999998 110.878 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.44 102.88 0.76 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.676 0.75 . . . . 71.409999999999997 110.953 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.1 Cg_endo -69.84 155.19 66.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 75.219999999999999 112.292 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.3 t -128.57 118.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 65.340000000000003 111.179 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.06 -22.32 9.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 111.057 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 40.0 p90 -158.36 129.78 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 73.209999999999994 110.898 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.82 159.01 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 74.150000000000006 111.096 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 90' ' ' LYS . 2.5 mm? -113.65 162.59 21.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.536 0.684 . . . . 54.240000000000002 110.914 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.2 Cg_endo -69.74 87.67 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 63.439999999999998 112.336 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.01 -3.48 2.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 30.41 112.486 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 86' ' ' VAL . 97.0 m -99.61 134.97 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 53.32 111.164 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 111.85 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 74.030000000000001 111.186 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 35.0 p90 -116.06 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.329999999999998 110.911 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -84.98 135.34 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 74.349999999999994 110.859 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.679 HG12 ' CB ' ' A' ' 95' ' ' ALA . 26.7 m -136.28 177.47 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 72.030000000000001 111.065 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.53 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.2 t -70.43 158.97 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 70.430000000000007 110.813 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.48 73.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.019999999999996 111.07 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -35.88 25.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 64.209999999999994 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.53 HG23 ' HB3' ' A' ' 116' ' ' SER . 97.7 t -64.89 -49.47 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 73.430000000000007 111.128 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.69 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.88 -43.08 63.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 73.430000000000007 111.048 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.19 58.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 71.409999999999997 111.109 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.18 -51.18 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 53.520000000000003 110.876 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 65.3 mmm -52.85 -54.39 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 72.400000000000006 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -61.87 -29.74 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 111.099 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.76 -23.03 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 110.85 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -28.74 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.310000000000002 110.893 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.59 57.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 70.510000000000005 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 91' ' ' LEU . 10.4 mt -105.27 -25.67 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 73.209999999999994 110.862 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.83 151.21 49.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 60.310000000000002 111.11 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.716 ' CB ' HD21 ' A' ' 88' ' ' LEU . 26.0 ttt180 -124.61 127.41 47.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.894 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.688 ' HA ' HG22 ' A' ' 85' ' ' VAL . 11.5 mtp -51.61 135.54 28.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 71.219999999999999 110.898 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.517 ' HB3' HG22 ' A' ' 84' ' ' THR . 9.8 tt0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 72.140000000000001 110.928 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.773 0.239 . . . . 70.329999999999998 112.332 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.05 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.282 -0.417 . . . . 65.519999999999996 110.894 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 76' ' ' ILE . 95.9 m -123.43 -41.68 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 65.319999999999993 111.105 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.7 t 57.36 62.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 73.230000000000004 111.105 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 74' ' ' THR . 62.2 mt -148.35 110.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 62.140000000000001 111.081 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.34 121.4 29.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 63.030000000000001 110.969 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -161.8 116.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 73.219999999999999 110.799 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -112.06 19.43 17.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 61.329999999999998 111.087 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m 52.69 77.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 63.450000000000003 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.57 82.55 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 72.409999999999997 110.878 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.978 HD21 ' HB3' ' A' ' 98' ' ' ALA . 2.9 mm? -65.05 148.58 51.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 51.039999999999999 110.933 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.685 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.8 m -122.86 133.6 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 54.439999999999998 111.121 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -81.31 123.42 28.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 41.450000000000003 111.133 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.49 130.9 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.510000000000005 111.139 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -110.66 132.22 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 61.25 111.193 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.51 144.65 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.319999999999993 111.128 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 130' ' ' ARG . 9.5 mt -101.55 -20.84 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 41.450000000000003 110.908 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 8.4 m -142.78 157.04 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 62.350000000000001 111.121 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.1 102.32 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 61.5 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -137.61 143.5 41.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 74.209999999999994 110.958 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.04 105.0 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 110.93 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.655 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -110.32 148.39 32.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 111.115 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -113.59 88.61 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 110.815 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.733 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -134.6 113.22 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.530000000000001 111.093 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.83 141.39 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 65.140000000000001 110.867 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 132.54 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.420000000000002 110.796 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.978 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -93.25 -46.06 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 64.349999999999994 111.132 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -37.52 19.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 54.299999999999997 111.194 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -101.13 -177.5 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 65.310000000000002 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -118.08 79.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 74.010000000000005 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.3 mt-10 -165.11 103.36 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 71.019999999999996 110.884 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.82 172.69 12.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.636 2.224 . . . . 74.430000000000007 112.327 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.51 124.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 71.150000000000006 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.93 -20.94 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 64.439999999999998 111.084 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -159.16 129.84 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.871 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.67 158.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 65.329999999999998 111.133 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.45 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.66 21.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.665 0.745 . . . . 62.43 110.901 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.716 2.278 . . . . 75.239999999999995 112.33 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.53 -7.53 2.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 45.539999999999999 112.466 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.3 m -96.57 133.45 41.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 74.150000000000006 111.14 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 114.9 26.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 64.120000000000005 111.129 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.759 ' CD1' HG11 ' A' ' 107' ' ' VAL . 31.1 p90 -119.0 135.89 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 71.349999999999994 110.853 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -85.04 135.36 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 72.540000000000006 110.918 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.733 HG12 ' CB ' ' A' ' 95' ' ' ALA . 22.4 m -134.9 178.2 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 111.126 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -75.8 149.23 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 75.030000000000001 110.827 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.38 -36.46 32.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 61.219999999999999 111.154 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.2 -27.31 52.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 64.019999999999996 112.472 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 116' ' ' SER . 95.7 t -72.62 -49.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.786 0.327 . . . . 74.430000000000007 111.113 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.11 -38.01 55.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 111.106 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.89 61.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 72.530000000000001 111.126 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.96 -44.89 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 70.200000000000003 110.911 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.6 mmm -52.0 -54.39 30.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 65.129999999999995 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.1 p -65.31 -30.91 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 72.129999999999995 111.148 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.35 -23.95 62.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 63.329999999999998 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -75.95 -25.98 56.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 64.109999999999999 110.882 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.07 21.64 64.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 52.140000000000001 112.474 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 91' ' ' LEU . 7.6 mt -110.79 -25.32 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 73.019999999999996 110.889 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.91 154.9 45.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 45.32 111.11 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.661 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.3 ttt180 -134.35 147.04 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 75.420000000000002 110.863 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.2 mtt -65.75 143.61 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 75.349999999999994 110.811 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.340000000000003 110.855 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.775 0.24 . . . . 74.049999999999997 112.394 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -174.38 -68.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 71.25 110.873 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.537 HG22 HG12 ' A' ' 76' ' ' ILE . 89.8 m -92.36 -55.85 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 111.069 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 t 60.11 39.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.230000000000004 111.057 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.537 HG12 HG22 ' A' ' 74' ' ' THR . 50.4 mm -120.28 109.62 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 73.450000000000003 111.139 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.74 125.23 28.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.540000000000006 110.866 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.99 125.39 39.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 71.439999999999998 110.82 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -130.7 19.57 5.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 72.310000000000002 111.187 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 p -147.86 53.78 1.04 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 71.340000000000003 110.895 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -142.82 81.72 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 70.420000000000002 110.884 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.522 HD21 ' H ' ' A' ' 99' ' ' THR . 1.0 OUTLIER -61.43 141.02 57.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 54.119999999999997 110.949 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.643 HG21 ' CB ' ' A' ' 120' ' ' ALA . 16.9 m -136.36 137.41 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 111.16 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.5 m -83.66 121.25 27.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 71.340000000000003 111.134 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.16 134.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 73.209999999999994 111.112 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -112.29 131.39 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 64.510000000000005 111.144 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 144.58 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 73.239999999999995 111.138 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.4 mt -102.81 -19.6 14.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 62.399999999999999 110.842 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 13.5 m -142.07 155.82 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 72.209999999999994 111.113 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.07 102.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 72.349999999999994 110.925 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -138.02 142.8 40.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 62.340000000000003 110.897 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 9.9 m170 -97.02 105.11 17.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 72.349999999999994 110.836 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.658 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.72 143.59 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.310000000000002 111.113 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.77 89.4 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 73.519999999999996 110.875 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.685 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.56 120.77 24.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.219999999999999 111.133 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 122.22 41.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 73.140000000000001 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.32 126.91 20.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 110.912 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.421 ' HB3' HD11 ' A' ' 82' ' ' LEU . . . -93.05 -46.61 7.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 51.43 111.129 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.522 ' H ' HD21 ' A' ' 82' ' ' LEU . 6.4 t -82.51 -30.09 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 63.509999999999998 111.15 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -111.31 -178.02 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.7 80.51 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 62.219999999999999 110.905 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.53 104.02 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.664 0.745 . . . . 72.209999999999994 110.837 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.7 Cg_endo -69.79 154.36 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 72.540000000000006 112.361 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -127.61 112.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.140000000000001 111.181 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.04 -21.18 12.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 55.200000000000003 111.029 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.1 p90 -159.19 129.48 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 73.109999999999999 110.82 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.8 158.37 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 64.230000000000004 111.124 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.63 162.61 21.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 70.140000000000001 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.4 Cg_endo -69.76 86.29 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.669 2.246 . . . . 73.219999999999999 112.37 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.22 -5.34 2.41 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.693 -0.765 . . . . 45.140000000000001 112.482 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 86' ' ' VAL . 86.5 m -98.08 134.84 40.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 60.119999999999997 111.123 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.61 114.87 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 70.120000000000005 111.073 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.754 ' CD1' HG11 ' A' ' 107' ' ' VAL . 26.3 p90 -120.22 141.42 49.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 72.129999999999995 110.935 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -91.15 136.04 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 72.219999999999999 110.845 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.685 HG12 ' CB ' ' A' ' 95' ' ' ALA . 34.4 m -138.92 172.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 62.310000000000002 111.129 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.54 ' HB3' HG23 ' A' ' 119' ' ' VAL . 35.5 t -62.8 158.45 18.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 55.25 110.833 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 81' ' ' GLU . . . -62.47 -32.55 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 111.129 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.24 -37.54 21.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 71.140000000000001 112.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 116' ' ' SER . 98.3 t -62.55 -49.06 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 52.450000000000003 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.643 ' CB ' HG21 ' A' ' 83' ' ' VAL . . . -51.9 -37.94 54.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 73.200000000000003 111.089 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -41.97 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 71.109999999999999 111.111 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.26 -44.71 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 55.119999999999997 110.88 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.5 mmm -51.74 -54.49 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.947 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.1 p -67.35 -29.33 68.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 55.310000000000002 111.141 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -73.04 -24.09 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 75.129999999999995 110.882 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -26.02 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 63.399999999999999 110.862 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.34 19.14 65.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 71.450000000000003 112.561 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 91' ' ' LEU . 9.7 mt -104.99 -25.25 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 62.039999999999999 110.925 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.8 150.0 52.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 64.129999999999995 111.048 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.595 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.0 ttt-85 -128.42 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 73.150000000000006 110.806 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.51 140.71 58.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.299999999999997 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 64.040000000000006 110.941 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.762 0.234 . . . . 61.229999999999997 112.398 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.94 -41.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 75.129999999999995 110.892 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.454 HG22 HG13 ' A' ' 76' ' ' ILE . 95.4 m -122.86 -41.8 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.200000000000003 111.161 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.2 t 57.35 62.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 111.149 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.454 HG13 HG22 ' A' ' 74' ' ' THR . 63.1 mt -148.1 121.36 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 53.009999999999998 111.169 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.54 127.45 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.945 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -130.28 47.92 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 73.329999999999998 110.853 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -147.29 143.96 28.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 65.420000000000002 111.126 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m -91.56 -76.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.439999999999998 110.852 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 53.25 89.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 74.349999999999994 110.862 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.704 HD13 ' O ' ' A' ' 115' ' ' VAL . 0.8 OUTLIER -54.4 148.16 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 75.109999999999999 110.898 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.2 m -127.91 135.93 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 74.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.1 m -83.82 116.72 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 51.32 111.205 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.49 134.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.95 130.56 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.230000000000004 111.145 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.24 140.56 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.329999999999998 111.055 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.3 mt -99.24 -21.68 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 54.149999999999999 110.96 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 22.2 m -140.09 155.71 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 64.409999999999997 111.166 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.94 103.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 62.43 110.904 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.948 HD13 HD13 ' A' ' 128' ' ' LEU . 12.9 tp -138.38 143.71 39.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 74.420000000000002 110.935 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.74 104.77 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 75.150000000000006 110.888 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.666 HG22 HG22 ' A' ' 107' ' ' VAL . 14.3 t -109.61 144.19 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 72.230000000000004 111.115 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -105.08 89.28 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.340000000000003 110.861 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.96 179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 61.109999999999999 111.069 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.67 126.76 9.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.450000000000003 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 117.07 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 110.84 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.51 -46.52 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 61.049999999999997 111.064 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -79.86 -27.46 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 74.519999999999996 111.117 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -117.84 -176.09 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 73.010000000000005 110.835 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -117.75 81.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 72.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.67 103.27 0.83 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 75.340000000000003 110.94 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.87 67.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 70.209999999999994 112.322 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 19.3 t -119.45 121.62 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 111.092 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.25 -22.86 8.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 111.097 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.52 130.21 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 73.140000000000001 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.765 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.39 159.14 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.209999999999994 111.162 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.64 21.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.683 . . . . 72.120000000000005 110.909 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.75 86.01 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.688 2.258 . . . . 53.5 112.359 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.56 -5.96 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 74.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.9 m -97.66 134.06 41.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 73.230000000000004 111.109 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.12 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 54.219999999999999 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.765 ' CD1' HG11 ' A' ' 107' ' ' VAL . 25.4 p90 -121.31 136.08 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 62.119999999999997 110.923 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.575 ' HB3' HD12 ' A' ' 82' ' ' LEU . 26.1 mtt180 -84.82 134.43 34.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.200000000000003 110.894 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.704 ' O ' HD13 ' A' ' 82' ' ' LEU . 27.7 m -136.56 172.46 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 60.020000000000003 111.137 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.69 145.89 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.854 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.15 -30.47 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 65.409999999999997 111.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.8 37.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 75.109999999999999 112.529 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.77 -48.58 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 74.420000000000002 111.134 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.656 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.71 -36.78 48.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 70.540000000000006 111.138 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.74 62.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 31.41 111.044 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -44.88 36.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 70.540000000000006 110.848 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 80.6 mmm -51.62 -54.33 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.836 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.5 p -68.92 -30.63 69.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 73.239999999999995 111.123 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.66 -14.18 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 73.120000000000005 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -22.54 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.239999999999995 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.73 29.32 52.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 70.349999999999994 112.49 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.948 HD13 HD13 ' A' ' 91' ' ' LEU . 19.3 mt -115.03 -23.8 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 73.310000000000002 110.953 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.96 149.57 50.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 72.400000000000006 111.066 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.596 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -125.41 146.98 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.319999999999993 110.868 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.72 128.32 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.450000000000003 110.906 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.864 0.277 . . . . 75.450000000000003 112.353 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.75 -25.43 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 54.039999999999999 110.909 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.46 HG22 HG13 ' A' ' 76' ' ' ILE . 97.5 m -100.41 -39.18 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 54.439999999999998 111.045 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.9 t 58.31 60.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 64.010000000000005 111.101 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.46 HG13 HG22 ' A' ' 74' ' ' THR . 62.3 mt -148.31 130.17 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 54.439999999999998 111.113 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.57 125.28 48.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.049999999999997 110.924 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -146.66 52.35 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 71.150000000000006 110.901 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 48.9 p -142.36 130.37 21.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 63.030000000000001 111.117 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.4 t -101.34 -76.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 65.420000000000002 110.853 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.78 93.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 72.120000000000005 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 98' ' ' ALA . 1.5 mm? -57.46 147.5 26.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 60.439999999999998 110.816 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.2 m -127.66 135.09 64.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 63.439999999999998 111.135 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -82.57 122.78 28.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 73.439999999999998 111.149 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 p -143.57 132.18 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.108 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.19 132.26 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 60.420000000000002 111.099 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.54 146.3 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 111.02 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.15 -21.53 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 72.129999999999995 110.856 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 10.0 m -141.65 156.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 72.310000000000002 111.132 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HG3' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -52.96 102.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 70.120000000000005 110.824 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.935 HD13 HD13 ' A' ' 128' ' ' LEU . 12.4 tp -137.07 143.36 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 65.409999999999997 110.914 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 14.9 m170 -96.78 105.28 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 71.219999999999999 110.809 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.661 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.64 146.81 35.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 71.010000000000005 111.146 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 89.34 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.717 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.39 113.09 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 63.219999999999999 111.12 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.32 122.52 33.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.019999999999996 110.954 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 126.91 18.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.793 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -92.91 -46.21 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 62.350000000000001 111.096 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -82.59 -32.46 28.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.010000000000005 111.141 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -108.71 -177.81 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 71.430000000000007 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -117.74 80.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.109999999999999 110.871 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -165.22 103.66 0.77 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 74.409999999999997 110.862 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.9 Cg_endo -69.79 154.54 67.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 63.340000000000003 112.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.6 t -127.23 120.4 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 42.140000000000001 111.149 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.37 -21.8 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 73.409999999999997 111.127 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 40.5 p90 -158.42 129.78 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 74.209999999999994 110.921 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.752 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.57 157.87 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 62.119999999999997 111.117 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.43 162.7 20.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.622 0.725 . . . . 43.439999999999998 110.964 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.86 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.716 2.277 . . . . 73.319999999999993 112.368 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.48 -5.78 2.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 45.200000000000003 112.487 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 86' ' ' VAL . 76.6 m -97.6 134.47 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 73.120000000000005 111.153 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.36 115.8 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.430000000000007 111.069 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.752 ' CD1' HG11 ' A' ' 107' ' ' VAL . 29.2 p90 -119.53 136.32 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.942 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -86.32 131.9 34.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.832 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.717 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.1 m -132.03 175.08 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 111.099 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.41 ' HB2' HG23 ' A' ' 119' ' ' VAL . 0.4 OUTLIER -71.89 148.21 46.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.497 . . . . 63.329999999999998 110.863 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.58 -35.62 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 51.450000000000003 111.044 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -27.05 53.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.814 -0.708 . . . . 44.509999999999998 112.447 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 116' ' ' SER . 97.8 t -72.96 -49.1 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 73.219999999999999 111.072 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.98 -38.09 55.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.030000000000001 111.131 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -41.79 60.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 33.409999999999997 111.125 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.1 -43.71 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 54.399999999999999 110.933 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.7 mmm -52.84 -54.48 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 72.030000000000001 110.861 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.7 p -66.03 -29.25 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 65.239999999999995 111.16 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.77 -23.41 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 65.409999999999997 110.944 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.91 -30.38 56.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 71.239999999999995 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.69 24.26 43.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 72.040000000000006 112.45 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.935 HD13 HD13 ' A' ' 91' ' ' LEU . 6.8 mt -114.09 -25.35 8.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 74.430000000000007 110.895 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.33 152.39 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.140000000000001 111.125 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.59 145.42 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.530000000000001 110.877 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.7 mtt -59.51 130.99 49.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 63.329999999999998 110.849 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 75.239999999999995 110.929 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.852 0.271 . . . . 73.129999999999995 112.375 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.67 -43.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.340000000000003 110.843 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.762 HG22 HG12 ' A' ' 76' ' ' ILE . 26.4 m -113.81 -53.02 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 62.0 111.127 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.24 47.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 62.409999999999997 111.147 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 74' ' ' THR . 34.4 mm -127.82 101.52 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 111.086 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.31 118.24 15.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 73.319999999999993 110.9 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -141.11 26.25 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 62.549999999999997 110.901 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.9 p -145.47 158.0 43.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.485 . . . . 75.030000000000001 111.132 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 p -119.75 -76.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 72.040000000000006 110.807 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 53.84 90.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 70.200000000000003 110.892 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.834 HD21 ' HB3' ' A' ' 98' ' ' ALA . 1.5 mm? -51.23 150.54 3.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.473 . . . . 35.049999999999997 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.6 m -132.43 135.15 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 71.140000000000001 111.074 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -81.53 125.21 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 74.530000000000001 111.155 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -147.35 131.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 111.095 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.86 131.63 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 60.329999999999998 111.118 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.42 142.38 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.120000000000005 111.097 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.4 mt -99.98 -21.45 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.219999999999999 110.944 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 31.6 m -141.53 156.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 60.439999999999998 111.111 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.04 102.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.430000000000007 110.937 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 128' ' ' LEU . 12.1 tp -137.86 143.17 40.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 74.25 110.924 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 21.5 m170 -97.24 105.01 17.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.911 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -109.52 146.64 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 54.310000000000002 111.134 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -109.55 89.39 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 72.219999999999999 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.712 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.01 122.05 27.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 72.25 111.124 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.46 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 71.200000000000003 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.36 124.54 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 71.209999999999994 110.864 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.834 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -90.84 -46.26 8.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 44.5 111.1 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.91 -31.59 31.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.441 . . . . 54.32 111.076 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.54 -177.28 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 72.239999999999995 110.861 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.94 80.57 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 73.209999999999994 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -165.15 103.52 0.78 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.616 0.722 . . . . 62.009999999999998 110.879 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.71 154.37 68.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.679 2.253 . . . . 74.450000000000003 112.344 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 t -126.75 118.61 51.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 60.229999999999997 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.59 -22.04 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 63.229999999999997 111.081 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.1 p90 -158.91 129.31 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 60.340000000000003 110.924 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.03 159.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 45.219999999999999 111.122 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.58 162.6 21.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 72.409999999999997 110.948 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.55 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 61.350000000000001 112.377 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.1 -7.26 2.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.732 . . . . 55.350000000000001 112.498 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.5 m -97.48 133.23 42.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.805 0.336 . . . . 73.430000000000007 111.144 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 114.8 26.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 53.140000000000001 111.099 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 29.3 p90 -118.48 138.94 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 73.349999999999994 110.884 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -88.68 133.25 34.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 73.420000000000002 110.847 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 95' ' ' ALA . 26.9 m -134.42 177.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.010000000000005 111.157 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.551 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.4 t -70.7 158.77 35.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.852 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.08 72.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.150000000000006 111.066 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.23 -35.28 27.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 63.210000000000001 112.447 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 116' ' ' SER . 98.5 t -65.51 -50.36 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 75.209999999999994 111.153 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.71 -37.28 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.229999999999997 111.1 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.64 -42.03 61.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 62.229999999999997 111.137 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.36 -42.52 44.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 73.530000000000001 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 83.5 mmm -54.25 -54.49 39.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 73.349999999999994 110.9 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.519999999999996 111.174 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.45 -23.16 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 65.340000000000003 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -79.14 -26.38 42.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 72.129999999999995 110.805 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.85 67.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 73.540000000000006 112.454 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 91' ' ' LEU . 11.3 mt -104.49 -25.12 12.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 75.230000000000004 110.871 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.96 149.4 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 72.129999999999995 111.105 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.532 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -129.86 148.31 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 75.109999999999999 110.854 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.5 mtt -67.9 127.19 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.540000000000006 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 51.130000000000003 110.902 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 120.792 0.247 . . . . 74.409999999999997 112.315 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.12 25.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 63.409999999999997 110.928 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.795 HG22 HG12 ' A' ' 76' ' ' ILE . 26.7 m -112.41 -52.94 2.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 73.019999999999996 111.193 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.61 47.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.143 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.795 HG12 HG22 ' A' ' 74' ' ' THR . 32.6 mm -128.73 127.58 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 71.549999999999997 111.127 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -117.1 113.57 22.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 110.951 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.62 90.68 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 44.109999999999999 110.844 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.1 p -150.7 164.95 34.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.219999999999999 111.133 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -132.83 63.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.040000000000006 110.857 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -129.66 58.54 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 61.109999999999999 110.904 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD22 HG23 ' A' ' 99' ' ' THR . 0.9 OUTLIER -64.45 149.77 47.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 70.010000000000005 110.959 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.4 m -132.98 136.91 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.150000000000006 111.076 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.9 m -84.99 126.72 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 73.329999999999998 111.17 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.2 p -147.47 133.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 65.25 111.108 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -111.53 132.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.129999999999995 111.1 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 146.56 51.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 64.340000000000003 111.105 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.08 -25.81 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 72.040000000000006 110.915 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.418 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 13.1 m -138.15 157.09 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.430000000000007 111.195 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -52.88 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 65.540000000000006 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 128' ' ' LEU . 11.6 tp -139.97 143.01 36.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 73.109999999999999 110.934 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -95.69 104.94 16.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 71.299999999999997 110.839 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.675 HG22 HG22 ' A' ' 107' ' ' VAL . 14.2 t -111.36 142.03 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 64.109999999999999 111.21 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -109.71 88.26 2.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 72.030000000000001 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.702 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -132.1 112.0 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 75.040000000000006 111.138 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.79 138.57 31.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.019999999999996 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 124.21 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 45.310000000000002 110.873 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.67 -46.19 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 64.219999999999999 111.088 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.541 HG23 HD22 ' A' ' 82' ' ' LEU . 27.0 p -84.72 -43.87 13.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 43.450000000000003 111.211 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.9 -176.85 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 72.209999999999994 110.873 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -118.45 80.2 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 72.099999999999994 110.858 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.8 tt0 -165.56 102.0 0.75 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.634 0.73 . . . . 75.129999999999995 110.889 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.7 171.42 14.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 54.509999999999998 112.341 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -145.32 130.75 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 70.340000000000003 111.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.79 -32.01 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 51.450000000000003 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -149.86 131.25 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 70.409999999999997 110.921 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.75 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.21 157.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 72.0 111.121 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.79 20.68 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 64.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.81 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 52.329999999999998 112.335 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.37 -4.9 2.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.772 . . . . 75.230000000000004 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.1 m -98.07 134.89 40.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 60.240000000000002 111.131 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.7 115.04 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 63.039999999999999 111.088 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.75 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.7 p90 -118.67 135.27 54.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.319999999999993 110.828 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -86.1 132.43 34.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.230000000000004 110.829 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.702 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.0 m -132.79 177.44 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.030000000000001 111.162 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.7 t -71.02 158.78 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 72.040000000000006 110.868 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.76 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 71.310000000000002 111.084 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.42 -34.9 27.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 62.049999999999997 112.519 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.0 t -65.42 -49.99 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 62.399999999999999 111.115 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.673 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.74 -36.98 49.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.019999999999996 111.096 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.49 62.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.32 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -76.34 -43.57 40.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.872 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mmm -51.9 -54.39 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 71.120000000000005 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.2 p -65.56 -29.41 70.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 71.510000000000005 111.12 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.76 -23.15 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 53.229999999999997 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -27.63 54.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.9 64.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 63.340000000000003 112.454 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 91' ' ' LEU . 9.5 mt -107.26 -24.5 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 63.439999999999998 110.864 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.17 151.39 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 52.310000000000002 111.077 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -133.47 142.3 48.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.349999999999994 110.892 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -56.77 130.12 44.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 74.209999999999994 110.87 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.92 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.781 0.242 . . . . 72.120000000000005 112.345 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.03 -41.11 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 61.240000000000002 110.868 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.784 HG22 HG12 ' A' ' 76' ' ' ILE . 26.7 m -113.11 -53.07 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.239999999999995 111.185 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.8 t 59.85 47.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 71.109999999999999 111.165 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.784 HG12 HG22 ' A' ' 74' ' ' THR . 31.8 mm -129.18 126.96 65.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 61.43 111.15 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.44 112.27 22.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 70.019999999999996 110.878 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -130.95 92.22 3.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.939 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p -117.35 170.7 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.230000000000004 111.185 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 m 56.81 54.34 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 74.040000000000006 110.826 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.505 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 2.4 mt-10 -144.0 79.8 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 64.129999999999995 110.815 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.426 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -62.26 145.4 53.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 73.540000000000006 110.879 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.3 m -140.32 136.6 36.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 64.319999999999993 111.15 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -84.02 125.05 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 64.030000000000001 111.103 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 p -145.63 133.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.310000000000002 111.095 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.31 132.11 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 62.539999999999999 111.066 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.0 147.1 50.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 71.549999999999997 111.086 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.19 -24.49 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 70.310000000000002 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.416 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 7.5 m -138.99 156.39 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 65.109999999999999 111.134 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -53.04 103.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 71.049999999999997 110.834 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.65 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -139.17 141.25 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.420000000000002 110.871 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -94.72 105.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 65.5 110.826 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.679 HG22 HG22 ' A' ' 107' ' ' VAL . 15.0 t -111.19 145.26 38.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 64.120000000000005 111.127 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -111.02 88.43 2.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.430000000000007 110.838 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.712 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -133.82 112.96 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 52.340000000000003 111.114 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.9 139.9 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.310000000000002 110.893 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 124.77 22.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.891 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . . . -86.81 -45.74 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 73.120000000000005 111.056 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.3 m -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 70.319999999999993 111.11 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -97.35 -176.44 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.150000000000006 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -118.2 80.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.852 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 2.9 tt0 -165.27 102.78 0.77 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 74.299999999999997 110.893 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.9 Cg_endo -69.75 171.76 13.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 74.530000000000001 112.357 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -144.88 125.38 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 111.15 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.3 -21.77 6.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 63.310000000000002 111.086 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -159.12 129.35 5.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 74.120000000000005 110.842 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.763 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.1 158.0 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 74.129999999999995 111.151 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.1 mm? -113.53 162.81 20.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.571 0.7 . . . . 75.010000000000005 110.905 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.1 Cg_endo -69.83 86.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.644 2.229 . . . . 63.310000000000002 112.321 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.1 -4.9 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.725 . . . . 60.310000000000002 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.7 m -98.7 134.79 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 71.109999999999999 111.179 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.8 115.01 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 65.099999999999994 111.077 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.763 ' CD1' HG11 ' A' ' 107' ' ' VAL . 31.4 p90 -118.9 135.23 54.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.848 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -84.96 135.04 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.882 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.0 m -136.17 175.01 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 64.299999999999997 111.128 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.5 t -68.48 158.31 34.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 62.329999999999998 110.898 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.505 ' HB2' ' CB ' ' A' ' 81' ' ' GLU . . . -60.33 -33.43 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.450000000000003 111.099 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.73 25.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.77 . . . . 44.219999999999999 112.528 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.8 t -64.18 -50.08 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 75.129999999999995 111.175 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.82 -36.94 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.439999999999998 111.074 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.71 -42.57 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 64.409999999999997 111.11 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.38 -43.88 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.450000000000003 110.838 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.4 mmm -51.74 -54.42 28.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 72.129999999999995 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.2 p -66.3 -29.32 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 71.120000000000005 111.137 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.29 -23.14 59.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.230000000000004 110.81 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -79.25 -25.56 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.049999999999997 110.833 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.79 70.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 63.32 112.543 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.65 HD13 HD13 ' A' ' 91' ' ' LEU . 10.0 mt -104.2 -24.36 13.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 72.230000000000004 110.934 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.2 151.43 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 73.150000000000006 111.145 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -131.79 142.6 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 70.120000000000005 110.855 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.2 mtt -64.49 130.36 43.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 50.229999999999997 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 72.239999999999995 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.791 0.246 . . . . 34.530000000000001 112.349 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.29 25.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 62.240000000000002 110.866 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.455 HG22 HG13 ' A' ' 76' ' ' ILE . 94.0 m -116.07 -40.62 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 111.183 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.4 t 57.3 62.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 70.230000000000004 111.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.455 HG13 HG22 ' A' ' 74' ' ' THR . 62.5 mt -148.38 135.95 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.299999999999997 111.16 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.33 94.53 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 73.310000000000002 110.929 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -129.68 112.8 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 61.450000000000003 110.919 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.8 p -82.27 1.19 37.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 55.210000000000001 111.137 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 t -179.61 -78.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 55.539999999999999 110.839 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.85 100.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.120000000000005 110.935 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 115' ' ' VAL . 0.8 OUTLIER -75.32 147.37 40.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 72.400000000000006 110.909 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.3 m -126.11 135.96 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 52.340000000000003 111.149 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.6 m -84.32 118.04 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 111.161 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.31 133.33 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 65.140000000000001 111.167 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 111' ' ' THR . 2.1 p -112.25 129.97 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 71.420000000000002 111.119 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.38 149.26 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.350000000000001 111.098 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 130' ' ' ARG . 8.2 mt -107.34 -12.02 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 75.019999999999996 110.935 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.9 m -153.2 159.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 65.209999999999994 111.125 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -53.38 105.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 72.510000000000005 110.889 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 128' ' ' LEU . 15.1 tp -138.43 143.68 39.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 70.519999999999996 110.922 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -97.24 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 54.530000000000001 110.853 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.562 HG22 HG22 ' A' ' 107' ' ' VAL . 11.3 t -114.92 142.3 46.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 74.219999999999999 111.169 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.44 89.29 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 61.049999999999997 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.485 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.45 179.91 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 111.096 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.84 130.61 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 74.549999999999997 110.878 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 119.81 12.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 62.549999999999997 110.871 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.73 -46.56 10.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 71.310000000000002 111.091 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -26.22 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 65.219999999999999 111.102 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -118.32 -176.61 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 72.549999999999997 110.828 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -117.66 81.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.869 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -164.49 104.17 0.85 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 72.340000000000003 110.926 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.71 164.76 33.29 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.633 2.222 . . . . 71.120000000000005 112.343 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.485 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 89.0 t -130.12 130.69 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 111.116 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.47 -34.1 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 64.400000000000006 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -152.05 127.94 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.836 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.767 HG11 ' CD1' ' A' ' 113' ' ' PHE . 1.5 m -108.41 152.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 111.15 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.405 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -113.35 165.63 12.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.577 0.703 . . . . 72.230000000000004 110.911 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.82 92.29 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.692 2.262 . . . . 73.450000000000003 112.365 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.52 0.8 3.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.638 -0.791 . . . . 64.109999999999999 112.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.1 m -106.81 134.8 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 53.409999999999997 111.123 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -98.73 115.92 29.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 65.5 111.142 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.767 ' CD1' HG11 ' A' ' 107' ' ' VAL . 23.4 p90 -121.54 136.61 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.450000000000003 110.921 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.585 ' HB3' HD12 ' A' ' 82' ' ' LEU . 15.6 mtt180 -87.87 133.29 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.835 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.708 ' O ' HD13 ' A' ' 82' ' ' LEU . 28.8 m -135.09 172.92 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 53.140000000000001 111.169 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.2 145.55 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 75.430000000000007 110.813 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.56 -30.56 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 75.239999999999995 111.133 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.12 -28.74 48.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.837 -0.696 . . . . 72.299999999999997 112.456 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.97 -47.77 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 75.299999999999997 111.157 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.656 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.77 -37.33 50.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.25 111.149 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -42.52 61.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.299999999999997 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.21 -42.93 44.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 73.219999999999999 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.6 mmm -53.31 -54.39 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 61.520000000000003 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.1 p -65.03 -30.56 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 75.5 111.137 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.14 -22.22 59.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 63.399999999999999 110.855 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -77.0 -27.04 54.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 53.299999999999997 110.837 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.42 24.65 56.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 71.329999999999998 112.47 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 91' ' ' LEU . 8.8 mt -114.26 -24.98 8.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 64.450000000000003 110.954 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.91 150.22 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 30.420000000000002 111.085 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.467 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -132.32 147.17 52.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 110.872 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 1.3 mtt -59.83 137.95 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 65.450000000000003 110.828 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.209999999999994 110.861 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.663 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.928 0.394 . . . . 54.25 111.112 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -82.2 123.75 29.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 61.33 111.13 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.76 131.85 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.55 111.112 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.46 131.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.137 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 142.47 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.1 111.12 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.7 mt -100.45 -20.79 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.935 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 15.4 m -142.08 156.39 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 72.11 111.112 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 102.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 64.43 110.916 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.817 HD13 HD13 ' A' ' 128' ' ' LEU . 12.4 tp -137.77 143.21 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 54.53 110.919 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 21.2 m170 -97.49 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.838 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 107' ' ' VAL . 14.9 t -109.52 146.88 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 72.33 111.136 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.65 89.38 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 70.21 110.832 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.707 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.04 121.55 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.113 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.56 122.47 41.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 53.11 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 124.61 13.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.812 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.81 -46.3 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 31.42 111.135 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -81.81 -31.69 31.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 72.54 111.13 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -110.59 -177.31 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.33 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.86 80.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 65.23 110.871 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.2 103.6 0.78 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 73.34 110.87 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.83 154.04 67.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 54.3 112.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.2 t -126.49 117.36 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.44 111.128 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.54 -21.64 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.41 111.112 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 29.2 p90 -159.08 129.52 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.866 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.31 159.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 64.35 111.118 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.64 162.61 21.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 72.23 110.898 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.706 2.271 . . . . 75.22 112.336 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.79 -6.97 2.14 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 40.03 112.471 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.4 134.35 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 72.25 111.119 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.16 113.76 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 55.42 111.107 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.5 p90 -118.24 140.84 49.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 61.22 110.888 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -90.34 136.22 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.83 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.707 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.4 m -137.79 178.55 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 63.24 111.143 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.6 t -70.43 159.64 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 61.23 110.837 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.21 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.22 111.06 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.93 28.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 62.55 112.473 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 116' ' ' SER . 94.6 t -66.34 -49.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 75.41 111.1 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.663 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.86 -37.59 52.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.54 111.087 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.68 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 73.53 111.106 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.19 -39.78 53.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 72.05 110.917 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.7 mmm -56.75 -54.46 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.11 110.867 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -66.32 -29.41 69.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.103 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.33 -22.01 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.854 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -77.54 -25.65 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 52.52 110.873 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.75 17.38 70.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 72.2 112.499 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.817 HD13 HD13 ' A' ' 91' ' ' LEU . 9.4 mt -106.51 -24.23 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 42.24 110.892 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.99 151.49 52.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 54.32 111.08 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.542 ' HB2' HD11 ' A' ' 88' ' ' LEU . 2.1 ttt85 -128.12 146.03 50.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.867 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.4 mtp -72.1 121.25 18.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 72.35 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 64.44 110.961 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.1 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.881 0.372 . . . . 72.33 111.211 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -82.11 123.88 29.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 61.31 111.153 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -144.94 131.87 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 72.14 111.069 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.45 131.71 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 63.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.19 142.6 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 70.41 111.127 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.2 mt -100.71 -20.54 15.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.912 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 24.2 m -142.11 156.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 73.34 111.171 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 102.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.861 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -137.86 143.27 40.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.24 110.922 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 12.1 m170 -97.51 105.07 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 65.34 110.842 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.57 146.52 34.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.174 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.33 89.36 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 70.43 110.813 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.709 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.93 121.73 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.54 111.097 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.64 122.35 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.11 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 125.12 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.883 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.31 -46.4 8.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.14 111.087 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.99 -31.13 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 32.12 111.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -110.98 -177.44 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.906 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -117.83 80.53 1.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 75.23 110.905 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.5 tt0 -165.15 103.64 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 73.21 110.833 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.8 154.36 67.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 73.45 112.351 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 t -126.77 117.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.188 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.76 -21.71 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.54 111.068 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 37.6 p90 -159.09 129.61 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.828 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.776 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.37 159.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 75.45 111.156 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.446 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.51 22.18 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.551 0.691 . . . . 52.32 110.969 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.5 Cg_endo -69.73 85.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 75.31 112.368 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.08 -7.17 2.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 74.24 112.472 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.24 134.37 40.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.791 0.329 . . . . 63.54 111.096 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.15 113.84 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 42.14 111.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.776 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.4 p90 -118.24 140.77 49.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 65.21 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -90.12 136.12 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.81 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.709 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.9 m -137.74 178.5 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 63.42 111.162 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.8 t -70.56 159.71 33.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 71.24 110.865 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.31 74.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 74.02 111.076 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -34.94 28.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 72.12 112.534 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.2 t -66.22 -49.85 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 72.2 111.181 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.85 -39.68 59.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 72.01 111.115 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -40.38 59.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 54.2 111.129 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -76.13 -42.42 46.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 65.13 110.903 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.9 mmm -56.14 -54.41 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.6 p -64.79 -29.9 70.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 70.1 111.092 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -75.95 -23.94 55.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 71.34 110.861 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -27.12 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.24 19.16 63.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 75.25 112.501 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 91' ' ' LEU . 14.0 mt -106.77 -25.73 11.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 73.2 110.917 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.93 151.39 51.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 65.11 111.092 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.56 ' HB2' HD11 ' A' ' 88' ' ' LEU . 69.1 ttt180 -130.1 148.59 51.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 63.42 110.795 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.1 mtt -69.75 130.45 42.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 71.15 110.819 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 65.34 110.931 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.646 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.5 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.899 0.381 . . . . 35.31 111.12 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.9 m -82.92 117.5 22.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 73.15 111.178 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.29 132.22 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.096 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.49 130.27 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.162 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 140.79 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 64.43 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 130' ' ' ARG . 7.6 mt -99.6 -20.74 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 74.22 110.922 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 18.8 m -140.62 155.67 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 71.2 111.141 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.08 103.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 128' ' ' LEU . 12.8 tp -138.03 143.65 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 64.15 110.968 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -97.73 104.86 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.913 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 107' ' ' VAL . 13.5 t -109.37 144.62 37.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 43.34 111.174 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -105.66 89.25 3.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 62.12 110.854 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.8 -179.95 3.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 44.25 111.102 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 127.18 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 73.15 110.905 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 113.25 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 64.02 110.801 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.48 -46.42 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.158 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.6 p -78.53 -34.63 47.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.1 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.79 -175.68 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 72.41 110.913 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -117.76 81.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.83 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -164.32 102.98 0.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 54.3 110.921 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.71 156.93 62.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.773 2.316 . . . . 73.3 112.341 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 19.0 t -122.51 119.94 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 64.13 111.128 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.54 -22.25 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.22 111.078 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -159.08 130.19 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 74.23 110.829 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.76 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.21 158.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 65.23 111.12 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.52 162.76 20.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 74.15 110.901 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.75 86.02 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 73.51 112.398 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.33 -5.29 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 62.42 112.505 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 86' ' ' VAL . 78.9 m -98.25 133.89 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 62.42 111.126 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.19 115.9 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.124 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.76 ' CD1' HG11 ' A' ' 107' ' ' VAL . 25.3 p90 -121.25 135.96 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -85.18 135.86 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.31 110.907 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 83' ' ' VAL . 32.7 m -138.31 178.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 42.12 111.096 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 119' ' ' VAL . 32.8 t -70.45 159.19 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 62.04 110.805 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.68 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 73.13 111.158 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -35.2 27.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 73.14 112.419 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 116' ' ' SER . 91.8 t -65.75 -50.69 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 54.12 111.11 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.646 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.77 -37.29 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 55.4 111.065 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.31 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 52.24 111.064 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.26 -45.16 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 71.43 110.805 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 79.9 mmm -51.46 -54.37 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.9 p -65.17 -29.18 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.14 111.132 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.12 -26.31 60.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 63.34 110.919 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -24.63 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 71.45 110.9 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.06 73.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 75.24 112.486 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 91' ' ' LEU . 6.8 mt -103.79 -24.15 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 60.34 110.945 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.64 147.53 50.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 45.53 111.102 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.571 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.0 ttm-85 -124.89 151.05 45.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 72.34 110.856 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.9 mtp -76.9 113.68 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.844 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 61.43 110.942 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.681 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.831 0.348 . . . . 73.21 111.158 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -82.22 121.95 27.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.43 111.156 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.77 130.84 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 72.02 111.114 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.37 131.69 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.42 111.139 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.99 138.91 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 54.43 111.057 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.0 mt -95.01 -25.81 16.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 75.33 110.952 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 16.7 m -136.19 154.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 74.25 111.153 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HD2' HD13 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -52.95 105.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.883 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 128' ' ' LEU . 11.5 tp -140.42 143.39 35.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.95 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 11.3 m170 -95.95 105.17 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 62.31 110.858 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 107' ' ' VAL . 13.4 t -109.73 148.14 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 65.14 111.182 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -111.72 89.19 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 64.31 110.856 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.716 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.67 112.58 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.14 111.053 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.38 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 61.12 110.926 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 127.06 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.14 -46.35 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 52.21 111.085 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -82.47 -32.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.23 111.17 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -108.2 -177.9 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 63.15 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.71 80.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 63.31 110.856 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.28 103.51 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 71.22 110.896 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.2 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.709 2.273 . . . . 71.35 112.323 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.48 118.91 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.52 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.8 -21.08 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 60.41 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 33.1 p90 -159.13 129.04 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.815 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.761 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.61 158.77 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 73.05 111.16 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.489 HD13 ' HD2' ' A' ' 90' ' ' LYS . 2.4 mm? -113.59 162.68 21.27 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.744 . . . . 71.43 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.65 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 70.24 112.307 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.9 -6.23 2.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 63.41 112.492 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 85.3 m -97.54 133.97 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 75.55 111.116 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.66 115.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 53.52 111.104 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.761 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.6 p90 -119.2 136.28 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 70.33 110.899 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -85.72 133.14 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.716 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.9 m -133.62 178.12 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.136 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.89 148.37 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 65.23 110.833 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.65 -33.82 23.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 63.2 111.118 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.17 -28.86 47.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.467 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.4 -48.93 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 74.21 111.141 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.681 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.19 -37.76 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.45 111.072 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.57 -41.96 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 13.24 111.105 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.14 -45.95 31.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.875 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.9 mmm -50.49 -54.36 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 71.03 110.918 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.4 p -65.11 -29.14 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.23 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -73.36 -24.85 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.937 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.18 54.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 71.34 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.67 19.13 74.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 54.42 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 91' ' ' LEU . 5.2 mt -107.14 -24.55 11.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.798 0.332 . . . . 74.44 110.978 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.95 154.06 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.15 111.083 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.563 ' HB2' HD11 ' A' ' 88' ' ' LEU . 1.8 ttt85 -134.25 145.62 49.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.52 110.818 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.5 mtt -63.64 145.9 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 64.4 110.918 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.891 0.377 . . . . 63.51 111.065 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.5 m -84.36 121.32 27.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 65.02 111.119 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.37 132.93 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 70.13 111.15 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -108.41 132.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.43 111.148 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.14 143.84 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 43.04 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 130' ' ' ARG . 16.3 mt -100.17 -22.11 15.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.939 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 14.4 m -142.36 157.11 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 72.05 111.099 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.02 102.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.861 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.845 HD13 HD13 ' A' ' 128' ' ' LEU . 12.2 tp -138.05 142.8 40.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 51.04 110.927 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 10.9 m170 -96.74 105.24 17.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 71.31 110.867 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 107' ' ' VAL . 14.8 t -110.06 147.57 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 62.12 111.082 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -111.01 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.849 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.726 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.8 113.25 14.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 71.42 111.108 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.18 122.58 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 65.35 110.9 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 126.57 18.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.834 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.94 -46.12 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 72.13 111.065 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -37.3 25.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 75.43 111.142 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -103.55 -177.77 3.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 73.23 110.842 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.84 80.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 63.24 110.859 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.0 OUTLIER -165.13 104.0 0.78 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 73.13 110.915 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.2 Cg_endo -69.75 154.27 68.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 63.31 112.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.1 t -126.22 120.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 54.15 111.069 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.57 -22.22 8.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 71.43 111.07 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 43.8 p90 -159.05 128.93 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 65.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.783 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -115.1 158.91 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.13 111.136 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.69 162.77 20.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 61.11 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.73 85.16 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.711 2.274 . . . . 70.0 112.298 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.16 -7.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 62.04 112.461 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.1 m -97.21 134.42 40.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 72.3 111.112 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.04 114.18 25.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 64.41 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.783 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.6 p90 -117.5 141.02 48.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.845 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -89.05 136.71 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.917 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.726 HG12 ' CB ' ' A' ' 95' ' ' ALA . 30.5 m -137.63 177.31 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 75.51 111.191 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.73 146.79 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 72.43 110.823 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.02 -33.73 26.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 72.32 111.089 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.05 -27.09 54.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 75.14 112.552 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.86 -48.5 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.317 . . . . 64.35 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.67 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.91 -37.2 51.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.132 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.48 61.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 63.24 111.038 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.06 -43.0 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 72.55 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.4 mmm -53.04 -54.35 36.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 75.3 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.1 p -66.0 -29.43 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 62.04 111.101 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -22.87 58.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 72.23 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -77.03 -25.26 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.86 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.02 23.19 61.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 62.25 112.394 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.845 HD13 HD13 ' A' ' 91' ' ' LEU . 9.2 mt -112.2 -24.65 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.877 0.37 . . . . 62.24 110.941 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.97 158.46 38.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.12 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.566 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -140.07 142.89 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 75.02 110.869 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.1 mtt -62.6 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.953 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.695 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.0 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.874 0.368 . . . . 74.42 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 m -84.28 121.11 27.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 60.31 111.057 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 p -140.36 132.55 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 71.04 111.11 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.44 132.18 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 71.51 111.111 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.98 143.94 52.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 41.24 111.155 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 130' ' ' ARG . 9.1 mt -100.76 -21.58 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.13 110.943 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 7.3 m -142.46 157.3 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.33 111.167 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.98 HD13 HD13 ' A' ' 128' ' ' LEU . 11.9 tp -137.65 143.38 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.55 110.959 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 14.7 m170 -97.16 105.18 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.34 110.81 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.68 HG22 HG22 ' A' ' 107' ' ' VAL . 15.2 t -109.81 147.84 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 63.22 111.185 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -111.43 89.23 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 75.05 110.936 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.715 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.26 112.58 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.43 111.063 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.59 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 127.06 19.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 71.14 110.836 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.04 -46.36 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 74.22 111.119 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.52 -31.83 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 62.15 111.078 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -109.54 -177.79 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.69 80.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 54.3 110.826 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.1 tt0 -165.29 103.56 0.77 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.725 0.774 . . . . 73.31 110.887 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.8 154.29 67.75 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.66 2.24 . . . . 73.53 112.33 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.02 120.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.03 -21.65 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 74.21 111.095 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.4 p90 -159.02 129.37 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 74.1 110.949 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.774 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.17 158.86 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.11 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.55 22.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 71.04 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.72 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 74.35 112.322 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.31 -7.46 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 71.4 112.423 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.07 134.55 40.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 72.03 111.097 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.44 113.88 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 65.12 111.103 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.774 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.2 p90 -117.37 136.19 53.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 73.34 110.905 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -86.02 133.26 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.839 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.715 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.5 m -133.29 178.05 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 73.5 111.153 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.57 148.12 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.809 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.57 -35.38 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 60.01 111.048 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -27.04 53.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 72.13 112.465 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.45 -48.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 64.12 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.09 -41.09 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.32 111.156 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.26 -39.62 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.14 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.2 -43.7 41.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.863 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 86.6 mmm -54.31 -54.51 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.1 p -63.99 -29.4 70.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 71.12 111.144 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.06 -24.42 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 72.22 110.928 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -76.67 -26.19 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.911 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.37 28.06 49.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 61.21 112.531 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.98 HD13 HD13 ' A' ' 91' ' ' LEU . 5.5 mt -116.64 -26.35 7.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 64.43 110.876 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.68 153.66 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.066 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.666 ' HB2' HD21 ' A' ' 88' ' ' LEU . 5.6 ttt-85 -133.32 142.17 48.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.877 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.12 137.83 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 75.05 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.55 110.875 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.8 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.922 0.391 . . . . 73.02 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 m -82.68 122.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 71.54 111.159 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -143.16 131.49 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 74.03 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.33 132.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.16 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.45 144.82 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.096 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 130' ' ' ARG . 9.6 mt -101.55 -20.93 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.857 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 15.5 m -142.14 156.04 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.02 111.111 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HG3' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -52.95 102.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.888 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.705 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -137.18 143.19 42.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.901 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 5.6 m-70 -96.62 105.21 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.44 110.863 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.662 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.49 147.23 34.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 74.43 111.086 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -111.0 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.873 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.721 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.3 112.58 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 63.21 111.127 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 122.54 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 62.4 110.942 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 126.9 18.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 72.35 110.918 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.99 -46.23 7.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 73.14 111.05 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 t -82.63 -31.77 28.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 61.34 111.151 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -109.56 -177.81 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 72.11 110.826 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.63 80.41 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 74.11 110.862 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -165.27 103.69 0.77 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 64.53 110.845 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.4 Cg_endo -69.9 154.32 67.3 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 71.34 112.332 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.01 120.19 54.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 35.31 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.11 -21.87 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.14 111.08 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 38.2 p90 -158.55 129.47 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.827 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.762 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.54 158.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 73.55 111.154 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.42 162.75 20.75 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.714 . . . . 74.51 110.912 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.52 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 75.43 112.266 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.71 -6.85 2.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 70.13 112.51 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.0 m -97.16 133.57 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 53.45 111.149 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.75 115.66 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 63.11 111.116 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.762 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.1 p90 -119.3 141.76 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 71.24 110.875 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -90.04 135.51 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 74.35 110.886 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.721 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.7 m -136.91 178.23 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 71.21 111.128 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.37 147.34 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 62.05 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.07 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 71.24 111.066 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.01 -28.52 49.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 53.32 112.473 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.8 t -76.55 -47.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.41 111.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.86 -36.81 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 73.01 111.073 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -42.94 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.12 -45.54 33.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.929 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.3 mmm -51.13 -48.71 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 73.15 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.5 p -75.63 -29.39 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 65.34 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -22.36 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.931 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -22.92 31.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 75.41 110.837 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.71 16.36 75.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 63.41 112.48 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.705 HD13 HD13 ' A' ' 91' ' ' LEU . 7.3 mt -99.19 -24.54 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 75.02 110.87 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.4 151.15 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 70.22 111.102 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.565 ' HB2' HD11 ' A' ' 88' ' ' LEU . 12.0 ttt180 -129.95 148.55 51.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.869 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.0 mtt -68.07 130.97 44.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 64.13 110.918 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.6 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 71.55 111.153 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -85.53 114.98 22.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 62.34 111.175 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.05 135.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 74.32 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -111.77 130.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.14 111.084 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.96 141.85 52.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 14.31 111.171 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 130' ' ' ARG . 7.6 mt -100.08 -20.49 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.924 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 30.3 m -141.12 155.85 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 54.45 111.21 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -53.14 103.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 61.41 110.927 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 128' ' ' LEU . 12.8 tp -139.19 141.58 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 55.3 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -96.29 104.99 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.817 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 107' ' ' VAL . 13.6 t -109.51 144.69 37.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 74.33 111.17 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -105.75 89.29 3.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.848 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -117.5 -179.93 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 61.22 111.144 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.68 127.02 9.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 63.51 110.932 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 63.13 110.86 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.41 -46.42 16.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 63.54 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -37.55 40.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 74.44 111.127 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -107.14 -175.97 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 75.55 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.88 81.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 65.35 110.855 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -164.3 103.83 0.87 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 51.45 110.909 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 155.7 65.55 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.614 2.209 . . . . 72.14 112.4 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 18.4 t -120.27 120.46 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 73.24 111.097 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.15 -22.5 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.3 111.042 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -158.95 129.83 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.921 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.761 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.58 158.16 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 52.43 111.18 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.452 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.83 20.52 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 65.22 110.944 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.75 85.64 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.766 2.311 . . . . 53.34 112.254 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.88 -5.78 2.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 64.11 112.508 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.6 m -98.04 134.96 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 63.42 111.115 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.1 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.084 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.761 ' CD1' HG11 ' A' ' 107' ' ' VAL . 24.6 p90 -121.46 136.49 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 75.14 110.926 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -84.94 135.02 34.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 75.52 110.885 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.437 ' O ' HG22 ' A' ' 83' ' ' VAL . 30.5 m -137.44 170.8 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 42.1 111.139 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 144.78 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 74.32 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.56 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 60.44 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -29.46 45.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 63.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.14 -48.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 63.52 111.02 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.88 -37.31 51.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.5 111.085 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 51.04 111.131 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.27 -42.77 44.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 65.23 110.838 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.2 mmm -53.94 -54.51 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -64.45 -29.36 70.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 63.44 111.108 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -75.81 -23.57 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.843 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -76.11 -25.7 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.896 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 34.01 112.521 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 91' ' ' LEU . 8.5 mt -114.48 -25.04 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 64.25 110.94 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -133.34 149.65 51.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.13 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -133.56 145.74 50.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 72.42 110.933 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -59.43 138.51 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.855 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 73.45 110.873 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.903 0.382 . . . . 61.14 111.076 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 132' ' ' GLN . 3.5 m -82.13 120.71 25.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 73.52 111.115 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 131' ' ' MET . 29.3 t -140.72 130.84 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 64.24 111.153 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -110.34 130.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.45 111.155 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.01 142.78 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 32.33 111.106 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.719 HD21 ' CB ' ' A' ' 130' ' ' ARG . 8.7 mt -101.41 -20.01 15.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 71.35 110.949 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 14.6 m -142.19 155.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.171 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 102.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 51.12 110.873 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -138.15 142.98 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.917 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 6.9 m-70 -97.43 105.07 17.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.856 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.674 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -109.52 147.04 33.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 71.23 111.12 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.78 89.25 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 71.01 110.898 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.704 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.97 121.79 27.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 63.45 111.055 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.45 42.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 72.31 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 124.31 13.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 65.23 110.895 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.57 -46.16 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 43.21 111.128 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 m -81.77 -32.58 31.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.122 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -109.63 -177.36 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -117.83 80.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.94 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -165.09 103.54 0.78 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.603 0.716 . . . . 73.11 110.906 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.78 154.54 67.54 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.719 2.279 . . . . 62.21 112.358 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.13 117.29 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 52.43 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.55 -21.8 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 41.01 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.7 p90 -158.99 129.6 5.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.77 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.38 158.83 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 52.31 111.175 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.53 162.67 21.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 45.01 110.942 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.77 86.33 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.68 2.253 . . . . 72.51 112.321 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.84 -5.98 2.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 44.21 112.482 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 96.1 m -98.27 134.15 41.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 32.33 111.092 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.457 ' HB2' HE21 ' A' ' 132' ' ' GLN . . . -95.46 114.0 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 52.03 111.09 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.77 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.0 p90 -118.31 137.44 53.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.904 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -87.64 135.49 33.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 54.43 110.843 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.704 HG12 ' CB ' ' A' ' 95' ' ' ALA . 32.3 m -137.1 178.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.21 111.121 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.535 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.9 t -70.89 159.4 34.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.88 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.29 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 20.52 111.059 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.19 -35.32 27.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 35.41 112.48 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 116' ' ' SER . 94.9 t -65.78 -50.04 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 51.15 111.124 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.94 -41.88 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.54 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.077 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.03 -48.96 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.885 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 66.8 mmm -52.06 -54.4 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.911 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.491 HG21 ' CG ' ' A' ' 131' ' ' MET . 62.7 p -64.43 -31.49 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.21 111.158 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -69.95 -24.69 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 71.31 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.36 -27.33 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 71.01 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.47 21.36 54.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 35.12 112.522 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 91' ' ' LEU . 6.6 mt -107.6 -30.59 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 35.24 110.914 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.82 151.72 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 63.13 111.094 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.719 ' CB ' HD21 ' A' ' 88' ' ' LEU . 49.3 ttt-85 -124.53 127.18 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.84 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.664 ' HA ' HG22 ' A' ' 85' ' ' VAL . 11.5 mtp -51.64 135.17 29.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 64.52 110.893 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.466 ' HB3' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 44.14 110.907 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 120' ' ' ALA . 12.6 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.948 0.404 . . . . 71.44 111.167 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.9 m -82.39 124.05 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 52.31 111.155 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.67 132.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 73.25 111.124 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.28 132.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 53.35 111.133 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.58 144.94 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 55.23 111.071 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.5 mt -103.23 -18.36 14.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.925 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 27.5 m -143.74 155.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 62.32 111.088 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.23 102.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.914 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.762 HD13 HD13 ' A' ' 128' ' ' LEU . 12.5 tp -137.96 140.97 40.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 32.23 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -95.45 105.17 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 71.34 110.923 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.21 145.72 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 73.43 111.186 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.45 89.37 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.828 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.724 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.84 115.91 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.13 111.145 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.39 122.49 34.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 72.34 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 125.69 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 64.34 110.859 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.78 -46.13 8.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 45.5 111.05 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -39.95 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 43.15 111.136 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -177.77 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 74.54 110.922 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.82 80.1 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.885 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -165.2 103.94 0.78 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 72.43 110.851 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.69 2.26 . . . . 70.43 112.299 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.4 t -125.9 120.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 64.31 111.125 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.26 -21.79 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 50.1 111.141 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -159.06 128.87 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.765 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.71 158.14 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 72.43 111.12 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.51 162.83 20.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 70.14 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.77 84.52 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.213 . . . . 63.55 112.372 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.12 -7.95 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 70.52 112.482 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.4 m -96.59 134.01 40.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 70.22 111.171 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.6 115.89 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 55.01 111.156 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.765 ' CD1' HG11 ' A' ' 107' ' ' VAL . 28.8 p90 -120.01 142.64 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.902 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -91.05 136.08 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.724 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.8 m -137.9 178.37 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 31.31 111.129 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.544 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.3 t -70.61 159.29 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.926 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.11 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 72.41 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.22 27.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.774 . . . . 62.23 112.421 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.544 HG23 ' HB3' ' A' ' 116' ' ' SER . 95.6 t -65.85 -50.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.328 . . . . 65.42 111.109 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.666 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.79 -38.01 53.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.02 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.65 -43.4 62.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.31 -0.405 . . . . 70.31 111.065 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.28 -36.95 58.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 72.14 110.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 78.5 mmm -59.16 -54.47 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -66.53 -29.33 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.44 111.186 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -77.26 -22.26 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -76.91 -25.26 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 55.43 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.25 74.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 71.42 112.5 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.762 HD13 HD13 ' A' ' 91' ' ' LEU . 10.2 mt -104.54 -24.4 13.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 72.13 110.9 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.54 155.36 47.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 45.15 111.126 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.643 ' HB2' HD11 ' A' ' 88' ' ' LEU . 8.7 ttt180 -131.71 143.46 50.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.878 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 mtp -72.25 127.17 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 52.12 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 71.1 110.949 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.1 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.818 0.342 . . . . 54.32 111.123 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 m -82.42 122.65 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.157 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.48 134.0 25.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 73.03 111.151 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 111' ' ' THR . 2.0 p -112.63 130.89 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 71.02 111.109 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.56 154.28 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.35 111.064 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 130' ' ' ARG . 8.4 mt -110.82 -11.72 14.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 63.31 110.946 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.6 159.95 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 74.43 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -53.38 104.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.924 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.712 HD13 HD13 ' A' ' 128' ' ' LEU . 15.5 tp -137.17 144.22 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 72.43 110.945 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -96.95 105.19 17.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 45.25 110.813 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 107' ' ' VAL . 8.6 t -116.31 146.93 42.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 74.23 111.148 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -114.17 89.21 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 72.02 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.71 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -127.72 112.94 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 64.02 111.09 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -89.64 122.55 32.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.11 110.886 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 127.02 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.86 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.97 -46.21 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 63.43 111.171 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 t -82.82 -31.32 28.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 71.1 111.195 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -109.82 -177.84 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.898 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.67 80.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 63.02 110.825 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.2 103.8 0.78 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 74.31 110.907 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.75 158.89 55.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 51.33 112.373 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.17 131.77 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.45 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.16 -33.31 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 71.52 111.141 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -152.16 126.31 9.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 62.42 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 ' CD1' ' A' ' 113' ' ' PHE . 1.7 m -105.94 151.51 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 75.35 111.131 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.32 165.81 12.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.584 0.707 . . . . 75.3 110.959 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.639 2.226 . . . . 63.42 112.362 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.35 -0.54 3.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 71.23 112.506 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.0 m -105.05 135.41 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 74.41 111.172 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.18 115.66 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 61.44 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.754 ' CD1' HG11 ' A' ' 107' ' ' VAL . 26.2 p90 -120.24 142.57 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.936 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -92.76 135.1 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.926 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.71 HG12 ' CB ' ' A' ' 95' ' ' ALA . 32.3 m -137.21 178.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 73.12 111.119 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 119' ' ' VAL . 32.1 t -69.94 159.83 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.81 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 62.44 111.136 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.07 -35.53 27.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 61.11 112.575 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 116' ' ' SER . 84.8 t -65.56 -50.07 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 64.11 111.166 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.98 -36.75 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 64.53 111.123 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.31 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.146 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.18 -46.06 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.05 110.871 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 75.9 mmm -51.35 -52.7 43.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.42 110.828 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -69.54 -29.29 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 34.15 111.111 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.48 -24.78 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -22.87 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.01 110.874 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.01 -2.63 87.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 60.23 112.511 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.712 HD13 HD13 ' A' ' 91' ' ' LEU . 15.8 mt -77.03 -23.38 52.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 75.52 110.902 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -139.16 151.39 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.44 111.16 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.643 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -127.09 144.0 51.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 71.54 110.807 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.0 mtt -68.62 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 75.44 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.961 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.69 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.2 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.853 0.359 . . . . 72.4 111.17 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 132' ' ' GLN . 3.4 m -84.06 120.72 26.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 52.24 111.151 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 131' ' ' MET . 28.9 t -140.36 132.0 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 72.41 111.129 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -110.71 132.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.14 111.101 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.36 137.58 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 52.21 111.126 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.716 HD21 ' CB ' ' A' ' 130' ' ' ARG . 7.7 mt -93.2 -28.03 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 60.4 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 28.3 m -134.48 154.63 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 62.42 111.119 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.467 ' HD2' HD13 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -52.94 106.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 70.23 110.957 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 128' ' ' LEU . 11.2 tp -142.01 143.25 33.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 52.44 110.928 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 10.9 m-70 -95.79 104.99 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.893 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.708 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.7 142.95 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.1 111.134 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.44 89.06 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.875 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.679 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -128.95 121.1 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 71.3 111.194 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.74 122.21 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 60.01 110.912 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 123.28 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 71.35 110.853 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.45 -46.13 8.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 65.24 111.146 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -81.92 -36.86 27.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.04 111.177 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -104.46 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.98 80.43 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 63.33 110.878 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.44 102.88 0.76 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.676 0.75 . . . . 71.41 110.953 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.1 Cg_endo -69.84 155.19 66.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 75.22 112.292 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.3 t -128.57 118.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 65.34 111.179 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.06 -22.32 9.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 73.23 111.057 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 40.0 p90 -158.36 129.78 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.898 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.82 159.01 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 74.15 111.096 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 90' ' ' LYS . 2.5 mm? -113.65 162.59 21.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.536 0.684 . . . . 54.24 110.914 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.2 Cg_endo -69.74 87.67 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 63.44 112.336 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.01 -3.48 2.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 30.41 112.486 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 86' ' ' VAL . 97.0 m -99.61 134.97 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 53.32 111.164 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 111.85 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 74.03 111.186 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 35.0 p90 -116.06 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.911 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -84.98 135.34 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 74.35 110.859 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.679 HG12 ' CB ' ' A' ' 95' ' ' ALA . 26.7 m -136.28 177.47 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 72.03 111.065 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.53 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.2 t -70.43 158.97 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 70.43 110.813 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.48 73.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.02 111.07 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -35.88 25.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 64.21 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.53 HG23 ' HB3' ' A' ' 116' ' ' SER . 97.7 t -64.89 -49.47 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 73.43 111.128 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.69 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.88 -43.08 63.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 73.43 111.048 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.19 58.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 71.41 111.109 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.18 -51.18 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 53.52 110.876 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 65.3 mmm -52.85 -54.39 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 72.4 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -61.87 -29.74 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.42 111.099 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.76 -23.03 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.85 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -28.74 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.31 110.893 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.59 57.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 70.51 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 91' ' ' LEU . 10.4 mt -105.27 -25.67 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 73.21 110.862 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.83 151.21 49.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 60.31 111.11 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.716 ' CB ' HD21 ' A' ' 88' ' ' LEU . 26.0 ttt180 -124.61 127.41 47.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.894 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.688 ' HA ' HG22 ' A' ' 85' ' ' VAL . 11.5 mtp -51.61 135.54 28.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 71.22 110.898 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.517 ' HB3' HG22 ' A' ' 84' ' ' THR . 9.8 tt0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 72.14 110.928 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.685 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.8 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.916 0.388 . . . . 54.44 111.121 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -81.31 123.42 28.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 41.45 111.133 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.49 130.9 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.51 111.139 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -110.66 132.22 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 61.25 111.193 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.51 144.65 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.32 111.128 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 130' ' ' ARG . 9.5 mt -101.55 -20.84 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 41.45 110.908 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 8.4 m -142.78 157.04 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 62.35 111.121 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.1 102.32 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 61.5 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -137.61 143.5 41.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.958 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.04 105.0 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.93 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.655 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -110.32 148.39 32.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 73.32 111.115 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -113.59 88.61 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.815 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.733 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -134.6 113.22 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.53 111.093 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.83 141.39 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 65.14 110.867 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 132.54 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.42 110.796 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.25 -46.06 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 64.35 111.132 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -37.52 19.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 54.3 111.194 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -101.13 -177.5 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 65.31 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -118.08 79.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.3 mt-10 -165.11 103.36 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 71.02 110.884 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.82 172.69 12.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.636 2.224 . . . . 74.43 112.327 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.51 124.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 71.15 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.93 -20.94 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.084 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -159.16 129.84 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.871 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.67 158.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 65.33 111.133 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.45 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.66 21.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.665 0.745 . . . . 62.43 110.901 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.716 2.278 . . . . 75.24 112.33 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.53 -7.53 2.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 45.54 112.466 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.3 m -96.57 133.45 41.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 74.15 111.14 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 114.9 26.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 64.12 111.129 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.759 ' CD1' HG11 ' A' ' 107' ' ' VAL . 31.1 p90 -119.0 135.89 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 71.35 110.853 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -85.04 135.36 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.918 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.733 HG12 ' CB ' ' A' ' 95' ' ' ALA . 22.4 m -134.9 178.2 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.126 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -75.8 149.23 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 75.03 110.827 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.38 -36.46 32.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 61.22 111.154 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.2 -27.31 52.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 64.02 112.472 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 116' ' ' SER . 95.7 t -72.62 -49.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.786 0.327 . . . . 74.43 111.113 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.11 -38.01 55.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.106 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.89 61.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 72.53 111.126 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.96 -44.89 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 70.2 110.911 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.6 mmm -52.0 -54.39 30.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 65.13 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.1 p -65.31 -30.91 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 72.13 111.148 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.35 -23.95 62.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 63.33 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -75.95 -25.98 56.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 64.11 110.882 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.07 21.64 64.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 52.14 112.474 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 91' ' ' LEU . 7.6 mt -110.79 -25.32 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 73.02 110.889 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.91 154.9 45.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 45.32 111.11 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.661 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.3 ttt180 -134.35 147.04 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.863 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.2 mtt -65.75 143.61 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.811 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.34 110.855 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.643 HG21 ' CB ' ' A' ' 120' ' ' ALA . 16.9 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.899 0.38 . . . . 75.13 111.16 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.5 m -83.66 121.25 27.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 71.34 111.134 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.16 134.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 73.21 111.112 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -112.29 131.39 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 64.51 111.144 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 144.58 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.138 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.4 mt -102.81 -19.6 14.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 62.4 110.842 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 13.5 m -142.07 155.82 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 72.21 111.113 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.07 102.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 72.35 110.925 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -138.02 142.8 40.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 62.34 110.897 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 9.9 m170 -97.02 105.11 17.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 72.35 110.836 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.658 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.72 143.59 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.113 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.77 89.4 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.875 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.685 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.56 120.77 24.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.22 111.133 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 122.22 41.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 73.14 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.32 126.91 20.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.912 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -93.05 -46.61 7.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 51.43 111.129 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 t -82.51 -30.09 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 63.51 111.15 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -111.31 -178.02 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.7 80.51 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 62.22 110.905 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.53 104.02 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.664 0.745 . . . . 72.21 110.837 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.7 Cg_endo -69.79 154.36 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 72.54 112.361 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -127.61 112.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.14 111.181 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.04 -21.18 12.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 55.2 111.029 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.1 p90 -159.19 129.48 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.82 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.8 158.37 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 64.23 111.124 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.63 162.61 21.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 70.14 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.4 Cg_endo -69.76 86.29 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.669 2.246 . . . . 73.22 112.37 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.22 -5.34 2.41 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.693 -0.765 . . . . 45.14 112.482 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 86' ' ' VAL . 86.5 m -98.08 134.84 40.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 60.12 111.123 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.61 114.87 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 70.12 111.073 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.754 ' CD1' HG11 ' A' ' 107' ' ' VAL . 26.3 p90 -120.22 141.42 49.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 72.13 110.935 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -91.15 136.04 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 72.22 110.845 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.685 HG12 ' CB ' ' A' ' 95' ' ' ALA . 34.4 m -138.92 172.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 62.31 111.129 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.54 ' HB3' HG23 ' A' ' 119' ' ' VAL . 35.5 t -62.8 158.45 18.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 55.25 110.833 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.55 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.129 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.24 -37.54 21.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 71.14 112.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 116' ' ' SER . 98.3 t -62.55 -49.06 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 52.45 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.643 ' CB ' HG21 ' A' ' 83' ' ' VAL . . . -51.9 -37.94 54.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 73.2 111.089 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -41.97 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 71.11 111.111 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.26 -44.71 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 55.12 110.88 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.5 mmm -51.74 -54.49 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.947 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.1 p -67.35 -29.33 68.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 55.31 111.141 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -73.04 -24.09 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 75.13 110.882 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -26.02 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 63.4 110.862 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.34 19.14 65.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 71.45 112.561 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 91' ' ' LEU . 9.7 mt -104.99 -25.25 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 62.04 110.925 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.8 150.0 52.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 64.13 111.048 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.595 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.0 ttt-85 -128.42 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 73.15 110.806 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.51 140.71 58.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.3 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 64.04 110.941 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.2 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.891 0.376 . . . . 74.0 111.126 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.1 m -83.82 116.72 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 51.32 111.205 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.49 134.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.95 130.56 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.23 111.145 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.24 140.56 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.33 111.055 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.3 mt -99.24 -21.68 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 54.15 110.96 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 22.2 m -140.09 155.71 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 64.41 111.166 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.94 103.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 62.43 110.904 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.948 HD13 HD13 ' A' ' 128' ' ' LEU . 12.9 tp -138.38 143.71 39.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 74.42 110.935 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.74 104.77 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 75.15 110.888 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.666 HG22 HG22 ' A' ' 107' ' ' VAL . 14.3 t -109.61 144.19 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 72.23 111.115 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -105.08 89.28 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.861 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.96 179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 61.11 111.069 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.67 126.76 9.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.45 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 117.07 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.84 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.51 -46.52 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 61.05 111.064 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -79.86 -27.46 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 74.52 111.117 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -117.84 -176.09 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 73.01 110.835 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -117.75 81.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 72.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.67 103.27 0.83 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 75.34 110.94 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.87 67.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 70.21 112.322 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 19.3 t -119.45 121.62 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.35 111.092 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.25 -22.86 8.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.31 111.097 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.52 130.21 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 73.14 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.765 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.39 159.14 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.21 111.162 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.64 21.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.683 . . . . 72.12 110.909 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.75 86.01 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.688 2.258 . . . . 53.5 112.359 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.56 -5.96 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 74.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.9 m -97.66 134.06 41.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 73.23 111.109 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.12 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 54.22 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.765 ' CD1' HG11 ' A' ' 107' ' ' VAL . 25.4 p90 -121.31 136.08 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 62.12 110.923 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -84.82 134.43 34.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.894 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 83' ' ' VAL . 27.7 m -136.56 172.46 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 60.02 111.137 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.69 145.89 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.854 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.15 -30.47 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 65.41 111.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.8 37.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 75.11 112.529 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.77 -48.58 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 74.42 111.134 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.656 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.71 -36.78 48.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 70.54 111.138 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.74 62.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 31.41 111.044 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -44.88 36.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 70.54 110.848 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 80.6 mmm -51.62 -54.33 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.836 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.5 p -68.92 -30.63 69.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 73.24 111.123 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.66 -14.18 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 73.12 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -22.54 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.73 29.32 52.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 70.35 112.49 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.948 HD13 HD13 ' A' ' 91' ' ' LEU . 19.3 mt -115.03 -23.8 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 73.31 110.953 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.96 149.57 50.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 72.4 111.066 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.596 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -125.41 146.98 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.868 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.72 128.32 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.45 110.906 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.95 0.405 . . . . 63.44 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -82.57 122.78 28.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 73.44 111.149 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 p -143.57 132.18 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.33 111.108 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.19 132.26 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 60.42 111.099 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.54 146.3 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.12 111.02 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.15 -21.53 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 72.13 110.856 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 10.0 m -141.65 156.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 72.31 111.132 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HG3' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -52.96 102.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 70.12 110.824 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.935 HD13 HD13 ' A' ' 128' ' ' LEU . 12.4 tp -137.07 143.36 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 65.41 110.914 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 14.9 m170 -96.78 105.28 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.809 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.661 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.64 146.81 35.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 71.01 111.146 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 89.34 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.717 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.39 113.09 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.12 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.32 122.52 33.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.02 110.954 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 126.91 18.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.41 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.91 -46.21 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 62.35 111.096 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -82.59 -32.46 28.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.01 111.141 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -108.71 -177.81 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -117.74 80.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.11 110.871 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -165.22 103.66 0.77 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 74.41 110.862 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.9 Cg_endo -69.79 154.54 67.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 63.34 112.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.6 t -127.23 120.4 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 42.14 111.149 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.37 -21.8 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 73.41 111.127 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 40.5 p90 -158.42 129.78 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 74.21 110.921 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.752 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.57 157.87 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 62.12 111.117 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.439 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.43 162.7 20.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.622 0.725 . . . . 43.44 110.964 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.86 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.716 2.277 . . . . 73.32 112.368 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.48 -5.78 2.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 45.2 112.487 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 86' ' ' VAL . 76.6 m -97.6 134.47 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 73.12 111.153 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.36 115.8 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.43 111.069 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.752 ' CD1' HG11 ' A' ' 107' ' ' VAL . 29.2 p90 -119.53 136.32 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 72.4 110.942 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -86.32 131.9 34.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.832 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.717 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.1 m -132.03 175.08 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.099 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.41 ' HB2' HG23 ' A' ' 119' ' ' VAL . 0.4 OUTLIER -71.89 148.21 46.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.497 . . . . 63.33 110.863 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.58 -35.62 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 51.45 111.044 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -27.05 53.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.814 -0.708 . . . . 44.51 112.447 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 116' ' ' SER . 97.8 t -72.96 -49.1 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 73.22 111.072 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.98 -38.09 55.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.03 111.131 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -41.79 60.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 33.41 111.125 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.1 -43.71 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 54.4 110.933 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.7 mmm -52.84 -54.48 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 72.03 110.861 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.7 p -66.03 -29.25 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 65.24 111.16 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.77 -23.41 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 65.41 110.944 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.91 -30.38 56.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 71.24 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.69 24.26 43.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 72.04 112.45 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.935 HD13 HD13 ' A' ' 91' ' ' LEU . 6.8 mt -114.09 -25.35 8.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 74.43 110.895 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.33 152.39 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.14 111.125 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.59 145.42 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.53 110.877 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.7 mtt -59.51 130.99 49.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.849 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 75.24 110.929 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.906 0.384 . . . . 71.14 111.074 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -81.53 125.21 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 74.53 111.155 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -147.35 131.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 74.22 111.095 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.86 131.63 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 60.33 111.118 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.42 142.38 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.12 111.097 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.4 mt -99.98 -21.45 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.944 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 31.6 m -141.53 156.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 60.44 111.111 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.04 102.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.43 110.937 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 128' ' ' LEU . 12.1 tp -137.86 143.17 40.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 74.25 110.924 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 21.5 m170 -97.24 105.01 17.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.911 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -109.52 146.64 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 54.31 111.134 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -109.55 89.39 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 72.22 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.712 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.01 122.05 27.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 72.25 111.124 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.46 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.36 124.54 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 71.21 110.864 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.84 -46.26 8.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 44.5 111.1 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.91 -31.59 31.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.441 . . . . 54.32 111.076 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.54 -177.28 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 72.24 110.861 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.94 80.57 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -165.15 103.52 0.78 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.616 0.722 . . . . 62.01 110.879 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.71 154.37 68.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.679 2.253 . . . . 74.45 112.344 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 t -126.75 118.61 51.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 60.23 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.59 -22.04 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 63.23 111.081 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.1 p90 -158.91 129.31 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 60.34 110.924 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.03 159.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 45.22 111.122 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.58 162.6 21.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 72.41 110.948 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.55 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 61.35 112.377 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.1 -7.26 2.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.732 . . . . 55.35 112.498 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.5 m -97.48 133.23 42.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.805 0.336 . . . . 73.43 111.144 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 114.8 26.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 53.14 111.099 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 29.3 p90 -118.48 138.94 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.884 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -88.68 133.25 34.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.847 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 95' ' ' ALA . 26.9 m -134.42 177.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.01 111.157 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.551 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.4 t -70.7 158.77 35.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.852 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.08 72.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.15 111.066 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.23 -35.28 27.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 63.21 112.447 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 116' ' ' SER . 98.5 t -65.51 -50.36 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 75.21 111.153 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.71 -37.28 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.23 111.1 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.64 -42.03 61.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 62.23 111.137 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.36 -42.52 44.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 73.53 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 83.5 mmm -54.25 -54.49 39.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 73.35 110.9 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.52 111.174 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.45 -23.16 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 65.34 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -79.14 -26.38 42.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.805 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.85 67.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 73.54 112.454 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 91' ' ' LEU . 11.3 mt -104.49 -25.12 12.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 75.23 110.871 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.96 149.4 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 72.13 111.105 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.532 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -129.86 148.31 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 75.11 110.854 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.5 mtt -67.9 127.19 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.54 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 51.13 110.902 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.4 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.991 0.424 . . . . 74.15 111.076 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.9 m -84.99 126.72 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 73.33 111.17 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.2 p -147.47 133.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 65.25 111.108 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -111.53 132.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.13 111.1 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 146.56 51.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 64.34 111.105 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.08 -25.81 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 72.04 110.915 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.418 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 13.1 m -138.15 157.09 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.195 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -52.88 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 65.54 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 128' ' ' LEU . 11.6 tp -139.97 143.01 36.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 73.11 110.934 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -95.69 104.94 16.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 71.3 110.839 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.675 HG22 HG22 ' A' ' 107' ' ' VAL . 14.2 t -111.36 142.03 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 64.11 111.21 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -109.71 88.26 2.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 72.03 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.702 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -132.1 112.0 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 75.04 111.138 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.79 138.57 31.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.02 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 124.21 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 45.31 110.873 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.67 -46.19 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 64.22 111.088 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.0 p -84.72 -43.87 13.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 43.45 111.211 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.9 -176.85 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.873 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -118.45 80.2 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 72.1 110.858 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.8 tt0 -165.56 102.0 0.75 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.634 0.73 . . . . 75.13 110.889 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.7 171.42 14.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 54.51 112.341 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -145.32 130.75 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 70.34 111.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.79 -32.01 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 51.45 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -149.86 131.25 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 70.41 110.921 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.75 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.21 157.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 72.0 111.121 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.79 20.68 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 64.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.81 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 52.33 112.335 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.37 -4.9 2.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.772 . . . . 75.23 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.1 m -98.07 134.89 40.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 60.24 111.131 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.7 115.04 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 63.04 111.088 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.75 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.7 p90 -118.67 135.27 54.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.828 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -86.1 132.43 34.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.829 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.702 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.0 m -132.79 177.44 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.03 111.162 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.7 t -71.02 158.78 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 72.04 110.868 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.76 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 71.31 111.084 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.42 -34.9 27.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 62.05 112.519 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.0 t -65.42 -49.99 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 62.4 111.115 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.673 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.74 -36.98 49.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.02 111.096 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.49 62.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.32 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -76.34 -43.57 40.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.872 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mmm -51.9 -54.39 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 71.12 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.2 p -65.56 -29.41 70.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 71.51 111.12 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.76 -23.15 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 53.23 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -27.63 54.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.9 64.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 63.34 112.454 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 91' ' ' LEU . 9.5 mt -107.26 -24.5 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 63.44 110.864 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.17 151.39 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 52.31 111.077 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -133.47 142.3 48.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.892 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -56.77 130.12 44.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.87 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.92 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.3 m . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.913 0.387 . . . . 64.32 111.15 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -84.02 125.05 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 64.03 111.103 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 p -145.63 133.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.31 111.095 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.31 132.11 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.066 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.0 147.1 50.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 71.55 111.086 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.19 -24.49 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 70.31 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.416 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 7.5 m -138.99 156.39 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 65.11 111.134 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -53.04 103.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 71.05 110.834 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.65 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -139.17 141.25 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.871 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -94.72 105.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 65.5 110.826 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.679 HG22 HG22 ' A' ' 107' ' ' VAL . 15.0 t -111.19 145.26 38.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 64.12 111.127 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -111.02 88.43 2.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.838 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.712 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -133.82 112.96 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 52.34 111.114 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.9 139.9 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.893 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 124.77 22.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.891 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.81 -45.74 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 73.12 111.056 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.3 m -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 70.32 111.11 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -97.35 -176.44 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.15 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -118.2 80.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.852 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 2.9 tt0 -165.27 102.78 0.77 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 74.3 110.893 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.9 Cg_endo -69.75 171.76 13.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 74.53 112.357 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -144.88 125.38 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 74.13 111.15 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.3 -21.77 6.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 63.31 111.086 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -159.12 129.35 5.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 74.12 110.842 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.763 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.1 158.0 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 74.13 111.151 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.1 mm? -113.53 162.81 20.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.571 0.7 . . . . 75.01 110.905 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.1 Cg_endo -69.83 86.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.644 2.229 . . . . 63.31 112.321 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.1 -4.9 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.725 . . . . 60.31 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.7 m -98.7 134.79 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 71.11 111.179 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.8 115.01 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 65.1 111.077 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.763 ' CD1' HG11 ' A' ' 107' ' ' VAL . 31.4 p90 -118.9 135.23 54.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.848 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -84.96 135.04 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.882 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.0 m -136.17 175.01 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.128 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.5 t -68.48 158.31 34.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 62.33 110.898 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.33 -33.43 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.099 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.73 25.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.77 . . . . 44.22 112.528 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.8 t -64.18 -50.08 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 75.13 111.175 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.82 -36.94 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.44 111.074 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.71 -42.57 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 64.41 111.11 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.38 -43.88 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.838 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.4 mmm -51.74 -54.42 28.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 72.13 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.2 p -66.3 -29.32 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 71.12 111.137 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.29 -23.14 59.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.81 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -79.25 -25.56 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.05 110.833 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.79 70.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 63.32 112.543 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.65 HD13 HD13 ' A' ' 91' ' ' LEU . 10.0 mt -104.2 -24.36 13.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 72.23 110.934 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.2 151.43 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 73.15 111.145 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -131.79 142.6 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 70.12 110.855 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.2 mtt -64.49 130.36 43.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 50.23 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 72.24 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.3 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.877 0.37 . . . . 52.34 111.149 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.6 m -84.32 118.04 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 70.44 111.161 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.31 133.33 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 65.14 111.167 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 111' ' ' THR . 2.1 p -112.25 129.97 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 71.42 111.119 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.38 149.26 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.35 111.098 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 130' ' ' ARG . 8.2 mt -107.34 -12.02 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 75.02 110.935 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.9 m -153.2 159.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 65.21 111.125 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -53.38 105.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 72.51 110.889 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 128' ' ' LEU . 15.1 tp -138.43 143.68 39.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 70.52 110.922 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -97.24 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 54.53 110.853 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.562 HG22 HG22 ' A' ' 107' ' ' VAL . 11.3 t -114.92 142.3 46.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 74.22 111.169 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.44 89.29 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 61.05 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.485 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.45 179.91 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.096 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.84 130.61 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 74.55 110.878 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 119.81 12.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 62.55 110.871 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.73 -46.56 10.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 71.31 111.091 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -26.22 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 65.22 111.102 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -118.32 -176.61 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 72.55 110.828 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -117.66 81.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.869 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -164.49 104.17 0.85 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 72.34 110.926 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.71 164.76 33.29 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.633 2.222 . . . . 71.12 112.343 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.485 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 89.0 t -130.12 130.69 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 74.14 111.116 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.47 -34.1 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 64.4 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -152.05 127.94 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.836 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.767 HG11 ' CD1' ' A' ' 113' ' ' PHE . 1.5 m -108.41 152.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 74.54 111.15 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.405 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -113.35 165.63 12.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.577 0.703 . . . . 72.23 110.911 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.82 92.29 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.692 2.262 . . . . 73.45 112.365 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.52 0.8 3.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.638 -0.791 . . . . 64.11 112.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.1 m -106.81 134.8 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 53.41 111.123 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -98.73 115.92 29.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 65.5 111.142 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.767 ' CD1' HG11 ' A' ' 107' ' ' VAL . 23.4 p90 -121.54 136.61 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.921 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -87.87 133.29 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.835 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 83' ' ' VAL . 28.8 m -135.09 172.92 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 53.14 111.169 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.2 145.55 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 75.43 110.813 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.56 -30.56 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 75.24 111.133 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.12 -28.74 48.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.837 -0.696 . . . . 72.3 112.456 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.97 -47.77 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 75.3 111.157 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.656 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.77 -37.33 50.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.25 111.149 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -42.52 61.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.3 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.21 -42.93 44.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.6 mmm -53.31 -54.39 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 61.52 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.1 p -65.03 -30.56 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 75.5 111.137 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.14 -22.22 59.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 63.4 110.855 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -77.0 -27.04 54.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 53.3 110.837 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.42 24.65 56.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 71.33 112.47 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 91' ' ' LEU . 8.8 mt -114.26 -24.98 8.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 64.45 110.954 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.91 150.22 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 30.42 111.085 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.467 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -132.32 147.17 52.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.872 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 1.3 mtt -59.83 137.95 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 65.45 110.828 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.21 110.861 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.816 0.257 . . . . 43.11 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.09 25.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.13 110.926 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.798 HG22 HG12 ' A' ' 76' ' ' ILE . 27.1 m -112.69 -52.94 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 64.01 111.139 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.91 47.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 70.32 111.113 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.798 HG12 HG22 ' A' ' 74' ' ' THR . 31.7 mm -129.31 112.69 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 72.13 111.134 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tt -88.16 99.52 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.942 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -136.69 108.07 6.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 53.52 110.879 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.4 p -116.66 20.32 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.149 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 t 54.88 35.65 24.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.88 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -123.35 72.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 70.24 110.867 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.933 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.2 mm? -66.45 148.33 52.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 72.34 110.923 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.663 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.8 m -119.51 134.41 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.25 111.112 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -82.2 123.75 29.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 61.33 111.13 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.76 131.85 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.55 111.112 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.46 131.59 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.137 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 142.47 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.1 111.12 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.7 mt -100.45 -20.79 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.935 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 15.4 m -142.08 156.39 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 72.11 111.112 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 102.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 64.43 110.916 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.817 HD13 HD13 ' A' ' 128' ' ' LEU . 12.4 tp -137.77 143.21 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 54.53 110.919 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 21.2 m170 -97.49 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.838 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 107' ' ' VAL . 14.9 t -109.52 146.88 33.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 72.33 111.136 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.65 89.38 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 70.21 110.832 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.707 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.04 121.55 26.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.113 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.56 122.47 41.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 53.11 110.919 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 124.61 13.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.812 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.933 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -90.81 -46.3 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 31.42 111.135 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.4 m -81.81 -31.69 31.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 72.54 111.13 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -110.59 -177.31 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.33 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.86 80.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 65.23 110.871 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.2 103.6 0.78 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 73.34 110.87 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.83 154.04 67.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 54.3 112.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.2 t -126.49 117.36 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.44 111.128 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.54 -21.64 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.41 111.112 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 29.2 p90 -159.08 129.52 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.866 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.31 159.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 64.35 111.118 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.64 162.61 21.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 72.23 110.898 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.706 2.271 . . . . 75.22 112.336 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.79 -6.97 2.14 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 40.03 112.471 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.4 134.35 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 72.25 111.119 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.16 113.76 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 55.42 111.107 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.5 p90 -118.24 140.84 49.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 61.22 110.888 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -90.34 136.22 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.83 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.707 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.4 m -137.79 178.55 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 63.24 111.143 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.6 t -70.43 159.64 33.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 61.23 110.837 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.21 74.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.22 111.06 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.93 28.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 62.55 112.473 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 116' ' ' SER . 94.6 t -66.34 -49.94 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 75.41 111.1 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.663 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.86 -37.59 52.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.54 111.087 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.68 62.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 73.53 111.106 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.19 -39.78 53.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 72.05 110.917 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.7 mmm -56.75 -54.46 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.11 110.867 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.6 p -66.32 -29.41 69.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.103 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.33 -22.01 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.854 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -77.54 -25.65 50.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 52.52 110.873 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.75 17.38 70.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 72.2 112.499 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.817 HD13 HD13 ' A' ' 91' ' ' LEU . 9.4 mt -106.51 -24.23 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 42.24 110.892 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.99 151.49 52.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 54.32 111.08 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.542 ' HB2' HD11 ' A' ' 88' ' ' LEU . 2.1 ttt85 -128.12 146.03 50.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.867 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.4 mtp -72.1 121.25 18.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 72.35 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 64.44 110.961 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.758 0.232 . . . . 65.42 112.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -100.06 -24.65 14.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 62.3 110.899 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.764 HG22 HG12 ' A' ' 76' ' ' ILE . 36.3 m -93.22 -51.43 5.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 64.51 111.137 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.9 t 61.79 44.83 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 51.1 111.131 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.764 HG12 HG22 ' A' ' 74' ' ' THR . 30.5 mm -129.81 111.78 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 61.32 111.157 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.02 125.02 51.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.888 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -153.34 117.52 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 75.15 110.79 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -125.27 20.41 8.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 64.13 111.117 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 p -149.92 69.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.833 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -160.41 81.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.933 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.956 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.2 mm? -71.17 148.96 46.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 63.34 110.869 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.1 m -120.66 134.46 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 72.33 111.211 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -82.11 123.88 29.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 61.31 111.153 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.7 p -144.94 131.87 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 72.14 111.069 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.45 131.71 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 63.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.19 142.6 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 70.41 111.127 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.2 mt -100.71 -20.54 15.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.53 110.912 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 24.2 m -142.11 156.13 19.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 73.34 111.171 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 102.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.861 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -137.86 143.27 40.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.24 110.922 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 12.1 m170 -97.51 105.07 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 65.34 110.842 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.57 146.52 34.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 71.33 111.174 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.33 89.36 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 70.43 110.813 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.709 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.93 121.73 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.54 111.097 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.64 122.35 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.11 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 125.12 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.883 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.956 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -91.31 -46.4 8.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.14 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.99 -31.13 31.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 32.12 111.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -110.98 -177.44 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.906 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -117.83 80.53 1.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 75.23 110.905 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.5 tt0 -165.15 103.64 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.648 0.737 . . . . 73.21 110.833 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.8 154.36 67.68 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 73.45 112.351 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.8 t -126.77 117.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.188 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.76 -21.71 10.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.54 111.068 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 37.6 p90 -159.09 129.61 5.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.828 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.776 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.37 159.13 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 75.45 111.156 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.446 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.51 22.18 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.551 0.691 . . . . 52.32 110.969 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.5 Cg_endo -69.73 85.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 75.31 112.368 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.08 -7.17 2.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 74.24 112.472 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.24 134.37 40.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.791 0.329 . . . . 63.54 111.096 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.15 113.84 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 42.14 111.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.776 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.4 p90 -118.24 140.77 49.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 65.21 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -90.12 136.12 33.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.81 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.709 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.9 m -137.74 178.5 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 63.42 111.162 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.537 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.8 t -70.56 159.71 33.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 71.24 110.865 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.31 74.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.518 . . . . 74.02 111.076 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -34.94 28.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 72.12 112.534 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.2 t -66.22 -49.85 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.911 0.386 . . . . 72.2 111.181 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.85 -39.68 59.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 72.01 111.115 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -40.38 59.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 54.2 111.129 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -76.13 -42.42 46.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 65.13 110.903 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.9 mmm -56.14 -54.41 45.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.893 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.6 p -64.79 -29.9 70.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 70.1 111.092 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -75.95 -23.94 55.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 71.34 110.861 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -27.12 55.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.865 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.24 19.16 63.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 75.25 112.501 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.815 HD13 HD13 ' A' ' 91' ' ' LEU . 14.0 mt -106.77 -25.73 11.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 73.2 110.917 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.93 151.39 51.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 65.11 111.092 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.56 ' HB2' HD11 ' A' ' 88' ' ' LEU . 69.1 ttt180 -130.1 148.59 51.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 63.42 110.795 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.1 mtt -69.75 130.45 42.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 71.15 110.819 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 65.34 110.931 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.787 0.245 . . . . 65.13 112.287 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.88 25.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 72.14 110.856 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.464 HG22 HG13 ' A' ' 76' ' ' ILE . 94.2 m -116.28 -41.18 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 63.01 111.094 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.2 t 57.48 61.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 70.13 111.136 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.464 HG13 HG22 ' A' ' 74' ' ' THR . 63.4 mt -148.06 113.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 75.21 111.109 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.43 126.89 53.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.883 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.42 82.29 2.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 44.53 110.862 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 p -146.55 173.43 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.142 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.1 m -148.99 58.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.882 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -139.82 82.31 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.2 mm? -67.36 148.25 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.921 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.646 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.5 m -119.9 133.65 65.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 35.31 111.12 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.9 m -82.92 117.5 22.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 73.15 111.178 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.29 132.22 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.096 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.49 130.27 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.162 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 140.79 54.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 64.43 111.12 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 130' ' ' ARG . 7.6 mt -99.6 -20.74 16.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 74.22 110.922 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 18.8 m -140.62 155.67 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 71.2 111.141 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.08 103.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.875 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 128' ' ' LEU . 12.8 tp -138.03 143.65 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 64.15 110.968 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -97.73 104.86 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.913 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 107' ' ' VAL . 13.5 t -109.37 144.62 37.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 43.34 111.174 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -105.66 89.25 3.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 62.12 110.854 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.8 -179.95 3.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 44.25 111.102 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 127.18 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 73.15 110.905 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 113.25 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 64.02 110.801 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.665 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -79.48 -46.42 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.158 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.6 p -78.53 -34.63 47.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.1 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.79 -175.68 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 72.41 110.913 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -117.76 81.2 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.83 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -164.32 102.98 0.87 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 54.3 110.921 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.71 156.93 62.18 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.773 2.316 . . . . 73.3 112.341 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 19.0 t -122.51 119.94 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 64.13 111.128 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.54 -22.25 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 73.22 111.078 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -159.08 130.19 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.443 . . . . 74.23 110.829 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.76 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.21 158.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 65.23 111.12 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.52 162.76 20.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 74.15 110.901 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.75 86.02 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 73.51 112.398 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.33 -5.29 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 62.42 112.505 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 86' ' ' VAL . 78.9 m -98.25 133.89 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.326 . . . . 62.42 111.126 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.19 115.9 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.124 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.76 ' CD1' HG11 ' A' ' 107' ' ' VAL . 25.3 p90 -121.25 135.96 55.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.912 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -85.18 135.86 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.31 110.907 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.427 ' O ' HD13 ' A' ' 82' ' ' LEU . 32.7 m -138.31 178.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 42.12 111.096 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 119' ' ' VAL . 32.8 t -70.45 159.19 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 62.04 110.805 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.68 73.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 73.13 111.158 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -35.2 27.76 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 73.14 112.419 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 116' ' ' SER . 91.8 t -65.75 -50.69 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 54.12 111.11 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.646 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.77 -37.29 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 55.4 111.065 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.31 61.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 52.24 111.064 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.26 -45.16 33.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 71.43 110.805 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 79.9 mmm -51.46 -54.37 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.888 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.9 p -65.17 -29.18 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.14 111.132 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -74.12 -26.31 60.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 63.34 110.919 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -24.63 55.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 71.45 110.9 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.06 73.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 75.24 112.486 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.844 HD13 HD13 ' A' ' 91' ' ' LEU . 6.8 mt -103.79 -24.15 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 60.34 110.945 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.64 147.53 50.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 45.53 111.102 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.571 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.0 ttm-85 -124.89 151.05 45.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 72.34 110.856 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.9 mtp -76.9 113.68 14.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.844 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 61.43 110.942 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 CA--C 1.526 0.116 0 CA-C-O 120.763 0.234 . . . . 64.43 112.324 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.04 -41.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.869 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.754 HG22 HG12 ' A' ' 76' ' ' ILE . 26.9 m -113.02 -53.09 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 61.13 111.127 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.8 t 59.8 47.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 64.4 111.179 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.754 HG12 HG22 ' A' ' 74' ' ' THR . 32.1 mm -129.07 112.3 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.05 111.124 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.58 120.19 22.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 63.33 110.952 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -143.9 72.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 55.34 110.922 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.5 p -140.04 -178.21 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 72.53 111.138 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.5 p -141.9 67.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.819 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -147.98 77.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.84 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 98' ' ' ALA . 2.9 mm? -59.25 146.21 40.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.88 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.681 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.5 m -119.93 134.04 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 73.21 111.158 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -82.22 121.95 27.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.43 111.156 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.77 130.84 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 72.02 111.114 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.37 131.69 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.42 111.139 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.99 138.91 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 54.43 111.057 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.0 mt -95.01 -25.81 16.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 75.33 110.952 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 16.7 m -136.19 154.36 33.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 74.25 111.153 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.489 ' HD2' HD13 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -52.95 105.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 64.13 110.883 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 128' ' ' LEU . 11.5 tp -140.42 143.39 35.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.95 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 11.3 m170 -95.95 105.17 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 62.31 110.858 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 107' ' ' VAL . 13.4 t -109.73 148.14 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 65.14 111.182 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -111.72 89.19 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 64.31 110.856 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.716 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.67 112.58 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 52.14 111.053 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.38 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 61.12 110.926 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 127.06 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.846 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.892 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -93.14 -46.35 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 52.21 111.085 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -82.47 -32.97 28.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.23 111.17 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -108.2 -177.9 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 63.15 110.841 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.71 80.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 63.31 110.856 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.28 103.51 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.656 0.741 . . . . 71.22 110.896 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.2 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.709 2.273 . . . . 71.35 112.323 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.48 118.91 50.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.52 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.8 -21.08 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 60.41 111.106 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 33.1 p90 -159.13 129.04 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.815 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.761 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.61 158.77 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 73.05 111.16 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.489 HD13 ' HD2' ' A' ' 90' ' ' LYS . 2.4 mm? -113.59 162.68 21.27 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.744 . . . . 71.43 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.65 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 70.24 112.307 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.9 -6.23 2.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.692 -0.766 . . . . 63.41 112.492 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 85.3 m -97.54 133.97 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 75.55 111.116 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.66 115.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 53.52 111.104 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.761 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.6 p90 -119.2 136.28 54.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 70.33 110.899 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -85.72 133.14 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.716 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.9 m -133.62 178.12 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.136 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.89 148.37 38.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 65.23 110.833 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.65 -33.82 23.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 63.2 111.118 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.17 -28.86 47.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.467 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.4 -48.93 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 74.21 111.141 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.681 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.19 -37.76 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.45 111.072 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.57 -41.96 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 13.24 111.105 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.14 -45.95 31.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.875 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.9 mmm -50.49 -54.36 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 71.03 110.918 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.4 p -65.11 -29.14 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.23 111.176 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -73.36 -24.85 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.937 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -24.18 54.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 71.34 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.67 19.13 74.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 54.42 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.79 HD13 HD13 ' A' ' 91' ' ' LEU . 5.2 mt -107.14 -24.55 11.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.798 0.332 . . . . 74.44 110.978 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.95 154.06 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.15 111.083 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.563 ' HB2' HD11 ' A' ' 88' ' ' LEU . 1.8 ttt85 -134.25 145.62 49.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.52 110.818 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.5 mtt -63.64 145.9 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 64.4 110.918 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.848 0.27 . . . . 72.04 112.318 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.57 -38.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 72.41 110.896 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.782 HG22 HG12 ' A' ' 76' ' ' ILE . 27.0 m -113.14 -53.1 2.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 63.5 111.141 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.98 47.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 73.42 111.099 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.782 HG12 HG22 ' A' ' 74' ' ' THR . 31.7 mm -129.44 118.08 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.32 111.099 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tt -121.27 107.38 12.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 71.51 110.887 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -140.2 51.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.4 110.852 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.2 p -141.26 -179.89 6.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.14 111.186 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.64 48.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 74.21 110.811 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -111.2 63.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.85 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.981 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.0 mm? -65.58 137.14 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 73.52 110.911 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.1 m -106.93 133.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 63.51 111.065 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.5 m -84.36 121.32 27.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 65.02 111.119 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.37 132.93 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 70.13 111.15 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -108.41 132.5 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.43 111.148 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.14 143.84 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 43.04 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 130' ' ' ARG . 16.3 mt -100.17 -22.11 15.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.939 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 14.4 m -142.36 157.11 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 72.05 111.099 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.02 102.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.861 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.845 HD13 HD13 ' A' ' 128' ' ' LEU . 12.2 tp -138.05 142.8 40.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 51.04 110.927 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 10.9 m170 -96.74 105.24 17.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 71.31 110.867 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 107' ' ' VAL . 14.8 t -110.06 147.57 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 62.12 111.082 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -111.01 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.849 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.726 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.8 113.25 14.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 71.42 111.108 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.18 122.58 33.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 65.35 110.9 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 126.57 18.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.834 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.981 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -91.94 -46.12 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 72.13 111.065 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -37.3 25.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 75.43 111.142 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -103.55 -177.77 3.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 73.23 110.842 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.84 80.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 63.24 110.859 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.0 OUTLIER -165.13 104.0 0.78 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 73.13 110.915 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.2 Cg_endo -69.75 154.27 68.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 63.31 112.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.1 t -126.22 120.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 54.15 111.069 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.57 -22.22 8.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 71.43 111.07 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 43.8 p90 -159.05 128.93 5.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 65.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.783 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -115.1 158.91 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.13 111.136 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.69 162.77 20.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 61.11 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.73 85.16 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.711 2.274 . . . . 70.0 112.298 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.16 -7.84 1.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 62.04 112.461 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.1 m -97.21 134.42 40.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 72.3 111.112 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.04 114.18 25.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 64.41 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.783 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.6 p90 -117.5 141.02 48.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.845 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -89.05 136.71 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.917 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.726 HG12 ' CB ' ' A' ' 95' ' ' ALA . 30.5 m -137.63 177.31 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 75.51 111.191 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.73 146.79 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 72.43 110.823 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.02 -33.73 26.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 72.32 111.089 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.05 -27.09 54.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 75.14 112.552 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.86 -48.5 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.317 . . . . 64.35 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.67 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.91 -37.2 51.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 72.23 111.132 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.48 61.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 63.24 111.038 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.06 -43.0 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 72.55 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.4 mmm -53.04 -54.35 36.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 75.3 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 82.1 p -66.0 -29.43 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 62.04 111.101 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -22.87 58.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 72.23 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -77.03 -25.26 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.86 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.02 23.19 61.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 62.25 112.394 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.845 HD13 HD13 ' A' ' 91' ' ' LEU . 9.2 mt -112.2 -24.65 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.877 0.37 . . . . 62.24 110.941 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.97 158.46 38.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.12 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.566 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -140.07 142.89 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 75.02 110.869 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.1 mtt -62.6 137.3 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.911 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.953 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.755 0.231 . . . . 72.4 112.349 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.61 -25.08 14.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 75.54 110.855 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.444 HG22 HG13 ' A' ' 76' ' ' ILE . 97.8 m -98.23 -38.55 9.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.202 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t 58.12 60.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 45.54 111.125 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.444 HG13 HG22 ' A' ' 74' ' ' THR . 61.3 mt -148.77 110.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 61.31 111.107 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.05 118.43 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.929 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.06 88.77 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.85 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 p -142.04 165.77 26.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.54 111.161 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -129.23 58.02 1.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -136.31 73.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 72.53 110.949 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.982 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.1 mm? -78.38 132.98 37.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 75.31 110.87 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.695 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.0 m -101.5 134.71 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 74.42 111.18 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.0 m -84.28 121.11 27.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 60.31 111.057 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 p -140.36 132.55 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 71.04 111.11 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.44 132.18 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 71.51 111.111 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.98 143.94 52.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 41.24 111.155 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.666 HD21 ' HB2' ' A' ' 130' ' ' ARG . 9.1 mt -100.76 -21.58 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.13 110.943 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 7.3 m -142.46 157.3 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.33 111.167 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 102.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.868 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.98 HD13 HD13 ' A' ' 128' ' ' LEU . 11.9 tp -137.65 143.38 41.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.55 110.959 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 14.7 m170 -97.16 105.18 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.34 110.81 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.68 HG22 HG22 ' A' ' 107' ' ' VAL . 15.2 t -109.81 147.84 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 63.22 111.185 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -111.43 89.23 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 75.05 110.936 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.715 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.26 112.58 13.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.43 111.063 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.95 122.59 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.908 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 127.06 19.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 71.14 110.836 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.982 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -93.04 -46.36 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 74.22 111.119 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.52 -31.83 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 62.15 111.078 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -109.54 -177.79 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.846 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.69 80.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 54.3 110.826 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.1 tt0 -165.29 103.56 0.77 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.725 0.774 . . . . 73.31 110.887 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.8 154.29 67.75 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.66 2.24 . . . . 73.53 112.33 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.02 120.0 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.106 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.03 -21.65 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 74.21 111.095 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.4 p90 -159.02 129.37 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 74.1 110.949 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.774 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.17 158.86 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.11 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.65 162.55 22.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 71.04 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.72 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 74.35 112.322 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.31 -7.46 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 71.4 112.423 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' VAL . 99.8 m -97.07 134.55 40.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 72.03 111.097 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.44 113.88 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 65.12 111.103 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.774 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.2 p90 -117.37 136.19 53.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 73.34 110.905 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -86.02 133.26 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.839 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.715 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.5 m -133.29 178.05 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 73.5 111.153 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.57 148.12 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.809 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.57 -35.38 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 60.01 111.048 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.13 -27.04 53.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 72.13 112.465 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.45 -48.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 64.12 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.09 -41.09 62.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.32 111.156 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.26 -39.62 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.14 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.2 -43.7 41.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.863 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 86.6 mmm -54.31 -54.51 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.1 p -63.99 -29.4 70.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 71.12 111.144 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.06 -24.42 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 72.22 110.928 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -76.67 -26.19 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.911 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.37 28.06 49.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 61.21 112.531 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.98 HD13 HD13 ' A' ' 91' ' ' LEU . 5.5 mt -116.64 -26.35 7.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 64.43 110.876 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -128.68 153.66 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.066 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.666 ' HB2' HD21 ' A' ' 88' ' ' LEU . 5.6 ttt-85 -133.32 142.17 48.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.877 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.4 mtt -60.12 137.83 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 75.05 110.851 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.55 110.875 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.754 0.231 . . . . 60.5 112.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.41 -68.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 74.15 110.836 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.514 HG22 HG12 ' A' ' 76' ' ' ILE . 90.2 m -92.38 -55.7 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.44 111.149 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 t 60.22 39.13 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 63.32 111.122 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.514 HG12 HG22 ' A' ' 74' ' ' THR . 50.5 mm -120.59 114.54 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.125 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.29 102.37 8.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 61.23 110.872 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -120.03 86.6 2.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 61.22 110.866 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.4 p -137.46 175.56 9.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 71.43 111.155 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -138.75 60.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 51.43 110.902 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -122.8 70.61 1.01 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 73.11 110.888 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.925 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.0 mm? -60.41 147.06 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 71.1 110.892 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.8 m -120.13 134.13 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.02 111.162 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 m -82.68 122.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 71.54 111.159 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -143.16 131.49 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 74.03 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.33 132.03 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.16 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.45 144.82 51.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.11 111.096 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 130' ' ' ARG . 9.6 mt -101.55 -20.93 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.857 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 15.5 m -142.14 156.04 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.02 111.111 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HG3' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -52.95 102.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.888 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.705 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -137.18 143.19 42.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.901 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 5.6 m-70 -96.62 105.21 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.44 110.863 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.662 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.49 147.23 34.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 74.43 111.086 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -111.0 89.21 2.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.873 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.721 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.3 112.58 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 63.21 111.127 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 122.54 33.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 62.4 110.942 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 126.9 18.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 72.35 110.918 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.925 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -92.99 -46.23 7.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 73.14 111.05 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 t -82.63 -31.77 28.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 61.34 111.151 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -109.56 -177.81 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 72.11 110.826 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.63 80.41 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 74.11 110.862 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -165.27 103.69 0.77 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.68 0.752 . . . . 64.53 110.845 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.4 Cg_endo -69.9 154.32 67.3 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 71.34 112.332 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.01 120.19 54.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 35.31 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.11 -21.87 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.14 111.08 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 38.2 p90 -158.55 129.47 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.827 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.762 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.54 158.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 73.55 111.154 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.42 162.75 20.75 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.6 0.714 . . . . 74.51 110.912 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.3 Cg_endo -69.85 85.52 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 75.43 112.266 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.71 -6.85 2.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 70.13 112.51 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.0 m -97.16 133.57 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 53.45 111.149 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.75 115.66 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 63.11 111.116 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.762 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.1 p90 -119.3 141.76 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 71.24 110.875 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -90.04 135.51 33.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 74.35 110.886 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.721 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.7 m -136.91 178.23 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 71.21 111.128 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.37 147.34 38.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 62.05 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.25 -32.07 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 71.24 111.066 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.01 -28.52 49.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 53.32 112.473 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.8 t -76.55 -47.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.41 111.191 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.86 -36.81 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 73.01 111.073 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -42.94 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.12 -45.54 33.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.929 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.3 mmm -51.13 -48.71 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 73.15 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.5 p -75.63 -29.39 59.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 65.34 111.205 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -22.36 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.931 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -22.92 31.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 75.41 110.837 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.71 16.36 75.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 63.41 112.48 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.705 HD13 HD13 ' A' ' 91' ' ' LEU . 7.3 mt -99.19 -24.54 14.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 75.02 110.87 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.4 151.15 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 70.22 111.102 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.565 ' HB2' HD11 ' A' ' 88' ' ' LEU . 12.0 ttt180 -129.95 148.55 51.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.869 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.0 mtt -68.07 130.97 44.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 64.13 110.918 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.8 0.25 . . . . 73.4 112.316 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.82 -40.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.847 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.461 HG22 HG13 ' A' ' 76' ' ' ILE . 96.0 m -123.23 -41.9 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.195 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.6 t 57.38 62.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 44.13 111.115 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.461 HG13 HG22 ' A' ' 74' ' ' THR . 63.4 mt -148.04 119.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.172 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.75 116.72 32.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.909 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -133.07 80.76 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 63.13 110.866 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.1 p -134.22 -178.34 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.01 111.133 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.0 m -144.65 62.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.849 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -139.58 72.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 72.43 110.876 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 115' ' ' VAL . 0.7 OUTLIER -59.21 144.35 46.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.928 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.6 m -122.18 135.43 62.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 71.55 111.153 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -85.53 114.98 22.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 62.34 111.175 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.05 135.61 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 74.32 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -111.77 130.94 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 61.14 111.084 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.96 141.85 52.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 14.31 111.171 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 130' ' ' ARG . 7.6 mt -100.08 -20.49 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.924 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 30.3 m -141.12 155.85 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 54.45 111.21 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -53.14 103.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 61.41 110.927 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 128' ' ' LEU . 12.8 tp -139.19 141.58 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 55.3 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -96.29 104.99 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.817 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.668 HG22 HG22 ' A' ' 107' ' ' VAL . 13.6 t -109.51 144.69 37.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 74.33 111.17 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -105.75 89.29 3.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.848 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -117.5 -179.93 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 61.22 111.144 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.68 127.02 9.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 63.51 110.932 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 63.13 110.86 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.41 -46.42 16.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 63.54 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -37.55 40.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 74.44 111.127 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -107.14 -175.97 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 75.55 110.892 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.88 81.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 65.35 110.855 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -164.3 103.83 0.87 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 51.45 110.909 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 155.7 65.55 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.614 2.209 . . . . 72.14 112.4 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 18.4 t -120.27 120.46 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 73.24 111.097 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.15 -22.5 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.3 111.042 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -158.95 129.83 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.921 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.761 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.58 158.16 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 52.43 111.18 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.452 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.83 20.52 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 65.22 110.944 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.0 Cg_endo -69.75 85.64 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.766 2.311 . . . . 53.34 112.254 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.88 -5.78 2.28 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 64.11 112.508 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 86' ' ' VAL . 84.6 m -98.04 134.96 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 63.42 111.115 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.1 28.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.084 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.761 ' CD1' HG11 ' A' ' 107' ' ' VAL . 24.6 p90 -121.46 136.49 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 75.14 110.926 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.6 ' HB3' HD12 ' A' ' 82' ' ' LEU . 8.3 mtp180 -84.94 135.02 34.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 75.52 110.885 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.701 ' O ' HD13 ' A' ' 82' ' ' LEU . 30.5 m -137.44 170.8 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 42.1 111.139 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 144.78 56.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 74.32 110.848 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.95 -31.56 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 60.44 111.117 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.14 -29.46 45.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 63.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.14 -48.52 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 63.52 111.02 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.88 -37.31 51.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.5 111.085 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.3 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 51.04 111.131 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.27 -42.77 44.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 65.23 110.838 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.2 mmm -53.94 -54.51 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.8 p -64.45 -29.36 70.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 63.44 111.108 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -75.81 -23.57 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.843 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -76.11 -25.7 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.896 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 34.01 112.521 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 91' ' ' LEU . 8.5 mt -114.48 -25.04 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 64.25 110.94 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -133.34 149.65 51.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.13 111.114 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -133.56 145.74 50.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 72.42 110.933 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -59.43 138.51 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.855 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 73.45 110.873 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.191 0 CA-C-O 120.729 0.221 . . . . 71.21 112.396 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.28 25.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 65.41 110.916 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.451 HG22 HG13 ' A' ' 76' ' ' ILE . 94.5 m -113.31 -40.95 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.45 111.143 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t 57.68 61.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 72.42 111.082 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.451 HG13 HG22 ' A' ' 74' ' ' THR . 63.9 mt -148.12 119.74 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.126 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.45 120.19 21.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 63.43 110.912 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -132.71 103.38 6.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.886 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.2 p -112.69 19.69 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 54.52 111.164 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.28 34.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 65.53 110.77 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.41 56.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.879 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.999 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.2 mm? -59.12 147.65 34.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.4 m -118.87 134.3 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 61.14 111.076 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 132' ' ' GLN . 3.5 m -82.13 120.71 25.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 73.52 111.115 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.664 HG22 ' HA ' ' A' ' 131' ' ' MET . 29.3 t -140.72 130.84 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 64.24 111.153 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -110.34 130.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 63.45 111.155 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.01 142.78 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 32.33 111.106 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.719 HD21 ' CB ' ' A' ' 130' ' ' ARG . 8.7 mt -101.41 -20.01 15.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 71.35 110.949 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 14.6 m -142.19 155.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.171 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 102.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 51.12 110.873 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -138.15 142.98 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.917 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 6.9 m-70 -97.43 105.07 17.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.856 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.674 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -109.52 147.04 33.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 71.23 111.12 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -109.78 89.25 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 71.01 110.898 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.704 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.97 121.79 27.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 63.45 111.055 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.45 42.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 72.31 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 124.31 13.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 65.23 110.895 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.999 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -90.57 -46.16 8.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 43.21 111.128 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 m -81.77 -32.58 31.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.122 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -109.63 -177.36 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.875 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -117.83 80.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.94 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -165.09 103.54 0.78 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.603 0.716 . . . . 73.11 110.906 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.78 154.54 67.54 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.719 2.279 . . . . 62.21 112.358 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.13 117.29 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 52.43 111.144 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.55 -21.8 10.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 41.01 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.7 p90 -158.99 129.6 5.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.77 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.38 158.83 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 52.31 111.175 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.53 162.67 21.24 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.615 0.722 . . . . 45.01 110.942 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.5 Cg_endo -69.77 86.33 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.68 2.253 . . . . 72.51 112.321 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.84 -5.98 2.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 44.21 112.482 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 96.1 m -98.27 134.15 41.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 32.33 111.092 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.457 ' HB2' HE21 ' A' ' 132' ' ' GLN . . . -95.46 114.0 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 52.03 111.09 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.77 ' CD1' HG11 ' A' ' 107' ' ' VAL . 32.0 p90 -118.31 137.44 53.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 73.4 110.904 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -87.64 135.49 33.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.484 . . . . 54.43 110.843 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.704 HG12 ' CB ' ' A' ' 95' ' ' ALA . 32.3 m -137.1 178.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.21 111.121 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.535 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.9 t -70.89 159.4 34.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.88 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.09 -33.29 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 20.52 111.059 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.19 -35.32 27.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 35.41 112.48 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 116' ' ' SER . 94.9 t -65.78 -50.04 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 51.15 111.124 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.94 -41.88 62.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.48 -43.54 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.077 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -76.03 -48.96 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.885 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 66.8 mmm -52.06 -54.4 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.911 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.491 HG21 ' CG ' ' A' ' 131' ' ' MET . 62.7 p -64.43 -31.49 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.21 111.158 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -69.95 -24.69 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 71.31 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.36 -27.33 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 71.01 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.47 21.36 54.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 35.12 112.522 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.773 HD13 HD13 ' A' ' 91' ' ' LEU . 6.6 mt -107.6 -30.59 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 35.24 110.914 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.82 151.72 41.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 63.13 111.094 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.719 ' CB ' HD21 ' A' ' 88' ' ' LEU . 49.3 ttt-85 -124.53 127.18 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.84 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.664 ' HA ' HG22 ' A' ' 85' ' ' VAL . 11.5 mtp -51.64 135.17 29.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 64.52 110.893 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.466 ' HB3' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 44.14 110.907 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.205 0 CA-C-O 120.841 0.267 . . . . 74.21 112.317 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.57 -38.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 62.31 110.811 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.792 HG22 HG12 ' A' ' 76' ' ' ILE . 26.9 m -113.11 -53.04 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 73.24 111.17 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.8 t 59.89 47.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 42.51 111.191 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.792 HG12 HG22 ' A' ' 74' ' ' THR . 32.1 mm -129.27 118.35 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 72.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 129.05 56.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.896 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -156.2 116.08 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 70.13 110.819 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.4 p -118.47 20.19 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.01 111.16 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.94 33.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 70.44 110.823 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -130.45 65.17 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.982 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.0 mm? -61.37 148.53 41.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.886 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 120' ' ' ALA . 12.6 m -120.65 133.76 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 71.44 111.167 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 99.9 m -82.39 124.05 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 52.31 111.155 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -144.67 132.08 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 73.25 111.124 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.28 132.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 53.35 111.133 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.58 144.94 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 55.23 111.071 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.5 mt -103.23 -18.36 14.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.23 110.925 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 27.5 m -143.74 155.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 62.32 111.088 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.23 102.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.914 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.762 HD13 HD13 ' A' ' 128' ' ' LEU . 12.5 tp -137.96 140.97 40.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 32.23 110.923 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -95.45 105.17 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 71.34 110.923 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.21 145.72 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 73.43 111.186 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.45 89.37 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.828 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.724 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -129.84 115.91 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 71.13 111.145 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.39 122.49 34.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 72.34 110.909 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 125.69 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 64.34 110.859 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.982 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -90.78 -46.13 8.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 45.5 111.05 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -39.95 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 43.15 111.136 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.75 -177.77 3.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 74.54 110.922 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.82 80.1 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.885 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -165.2 103.94 0.78 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 72.43 110.851 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.8 Cg_endo -69.76 154.19 68.02 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.69 2.26 . . . . 70.43 112.299 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.4 t -125.9 120.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 64.31 111.125 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.26 -21.79 8.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 50.1 111.141 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -159.06 128.87 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.867 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.765 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.71 158.14 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 72.43 111.12 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.51 162.83 20.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 70.14 110.943 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.77 84.52 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.213 . . . . 63.55 112.372 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 144.12 -7.95 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 70.52 112.482 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.4 m -96.59 134.01 40.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 70.22 111.171 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.6 115.89 28.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 55.01 111.156 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.765 ' CD1' HG11 ' A' ' 107' ' ' VAL . 28.8 p90 -120.01 142.64 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.902 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -91.05 136.08 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.724 HG12 ' CB ' ' A' ' 95' ' ' ALA . 35.8 m -137.9 178.37 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 31.31 111.129 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.544 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.3 t -70.61 159.29 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.926 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.11 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 72.41 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.22 27.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.774 . . . . 62.23 112.421 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.544 HG23 ' HB3' ' A' ' 116' ' ' SER . 95.6 t -65.85 -50.04 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.328 . . . . 65.42 111.109 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.666 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.79 -38.01 53.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.02 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.65 -43.4 62.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.31 -0.405 . . . . 70.31 111.065 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.28 -36.95 58.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 72.14 110.916 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 78.5 mmm -59.16 -54.47 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.3 p -66.53 -29.33 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.44 111.186 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -77.26 -22.26 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -76.91 -25.26 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 55.43 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.25 74.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 71.42 112.5 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.762 HD13 HD13 ' A' ' 91' ' ' LEU . 10.2 mt -104.54 -24.4 13.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 72.13 110.9 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.54 155.36 47.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 45.15 111.126 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.643 ' HB2' HD11 ' A' ' 88' ' ' LEU . 8.7 ttt180 -131.71 143.46 50.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.878 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.8 mtp -72.25 127.17 31.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 52.12 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 71.1 110.949 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.872 0.28 . . . . 70.21 112.348 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.91 -40.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.865 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.796 HG22 HG12 ' A' ' 76' ' ' ILE . 26.9 m -112.98 -53.03 2.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 62.44 111.152 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.82 47.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 73.01 111.155 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.796 HG12 HG22 ' A' ' 74' ' ' THR . 31.7 mm -129.09 131.46 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 75.02 111.14 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.57 114.33 6.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.895 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -121.49 87.97 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 53.5 110.82 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.5 p -137.75 148.49 45.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 72.4 111.128 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.0 m 53.76 56.3 7.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 73.05 110.805 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.98 80.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 74.32 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.847 HD21 ' HB3' ' A' ' 98' ' ' ALA . 3.2 mm? -78.02 148.0 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.859 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.1 m -118.97 134.21 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 54.32 111.123 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 m -82.42 122.65 28.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.157 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -142.48 134.0 25.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 73.03 111.151 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 111' ' ' THR . 2.0 p -112.63 130.89 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 71.02 111.109 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.56 154.28 42.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.35 111.064 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 130' ' ' ARG . 8.4 mt -110.82 -11.72 14.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 63.31 110.946 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 m -153.6 159.95 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 74.43 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -53.38 104.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.924 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.712 HD13 HD13 ' A' ' 128' ' ' LEU . 15.5 tp -137.17 144.22 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 72.43 110.945 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -96.95 105.19 17.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 45.25 110.813 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 107' ' ' VAL . 8.6 t -116.31 146.93 42.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 74.23 111.148 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -114.17 89.21 3.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 72.02 110.845 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.71 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -127.72 112.94 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 64.02 111.09 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -89.64 122.55 32.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.11 110.886 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 127.02 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.86 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.847 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -92.97 -46.21 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 63.43 111.171 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.6 t -82.82 -31.32 28.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 71.1 111.195 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -109.82 -177.84 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.898 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.67 80.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 63.02 110.825 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.2 103.8 0.78 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.664 0.745 . . . . 74.31 110.907 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.75 158.89 55.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 51.33 112.373 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.17 131.77 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.45 111.142 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.16 -33.31 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 71.52 111.141 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -152.16 126.31 9.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 62.42 110.948 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 ' CD1' ' A' ' 113' ' ' PHE . 1.7 m -105.94 151.51 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 75.35 111.131 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.32 165.81 12.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.584 0.707 . . . . 75.3 110.959 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.639 2.226 . . . . 63.42 112.362 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.35 -0.54 3.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 71.23 112.506 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . 42.0 m -105.05 135.41 46.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 74.41 111.172 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.18 115.66 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 61.44 111.07 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.754 ' CD1' HG11 ' A' ' 107' ' ' VAL . 26.2 p90 -120.24 142.57 48.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.936 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -92.76 135.1 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.926 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.71 HG12 ' CB ' ' A' ' 95' ' ' ALA . 32.3 m -137.21 178.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 73.12 111.119 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 119' ' ' VAL . 32.1 t -69.94 159.83 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.81 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.86 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 62.44 111.136 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.07 -35.53 27.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 61.11 112.575 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 116' ' ' SER . 84.8 t -65.56 -50.07 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.349 . . . . 64.11 111.166 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.98 -36.75 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 64.53 111.123 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.31 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.146 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -76.18 -46.06 30.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.05 110.871 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 75.9 mmm -51.35 -52.7 43.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.42 110.828 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.2 p -69.54 -29.29 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 34.15 111.111 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.48 -24.78 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -22.87 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.01 110.874 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.01 -2.63 87.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 60.23 112.511 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.712 HD13 HD13 ' A' ' 91' ' ' LEU . 15.8 mt -77.03 -23.38 52.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.33 . . . . 75.52 110.902 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -139.16 151.39 46.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.44 111.16 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.643 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -127.09 144.0 51.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 71.54 110.807 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 6.0 mtt -68.62 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 75.44 110.863 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.961 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.693 0.205 . . . . 75.51 112.369 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.68 -40.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 52.1 110.799 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.769 HG22 HG12 ' A' ' 76' ' ' ILE . 27.1 m -113.16 -53.14 2.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 71.2 111.055 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.93 47.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 64.14 111.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.769 HG12 HG22 ' A' ' 74' ' ' THR . 31.4 mm -129.31 124.77 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 64.42 111.119 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.37 102.87 3.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 62.4 110.908 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -129.72 37.37 3.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 74.35 110.825 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.1 p -148.31 179.03 8.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 71.51 111.167 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.4 t -152.58 71.49 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 73.02 110.836 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -129.65 76.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 63.31 110.863 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 150.06 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 65.04 110.91 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.69 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.2 m -130.59 136.36 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.4 111.17 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 132' ' ' GLN . 3.4 m -84.06 120.72 26.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 52.24 111.151 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 131' ' ' MET . 28.9 t -140.36 132.0 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 72.41 111.129 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -110.71 132.01 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.14 111.101 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.36 137.58 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 52.21 111.126 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.716 HD21 ' CB ' ' A' ' 130' ' ' ARG . 7.7 mt -93.2 -28.03 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 60.4 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 28.3 m -134.48 154.63 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 62.42 111.119 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' HD2' HD13 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -52.94 106.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 70.23 110.957 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 128' ' ' LEU . 11.2 tp -142.01 143.25 33.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 52.44 110.928 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 10.9 m-70 -95.79 104.99 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.893 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.708 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.7 142.95 40.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 73.1 111.134 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.44 89.06 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.875 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.679 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -128.95 121.1 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 71.3 111.194 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.74 122.21 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 60.01 110.912 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 123.28 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 71.35 110.853 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.45 -46.13 8.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 65.24 111.146 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -81.92 -36.86 27.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.04 111.177 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -104.46 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -117.98 80.43 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 63.33 110.878 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.44 102.88 0.76 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.676 0.75 . . . . 71.41 110.953 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.1 Cg_endo -69.84 155.19 66.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 75.22 112.292 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.3 t -128.57 118.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 65.34 111.179 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.06 -22.32 9.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 73.23 111.057 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 40.0 p90 -158.36 129.78 6.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.898 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.82 159.01 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 74.15 111.096 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 90' ' ' LYS . 2.5 mm? -113.65 162.59 21.76 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.536 0.684 . . . . 54.24 110.914 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.2 Cg_endo -69.74 87.67 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 63.44 112.336 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 139.01 -3.48 2.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 30.41 112.486 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 86' ' ' VAL . 97.0 m -99.61 134.97 41.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 53.32 111.164 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 111.85 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 74.03 111.186 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 35.0 p90 -116.06 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.911 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -84.98 135.34 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 74.35 110.859 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.679 HG12 ' CB ' ' A' ' 95' ' ' ALA . 26.7 m -136.28 177.47 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 72.03 111.065 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.53 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.2 t -70.43 158.97 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 70.43 110.813 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.48 73.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.02 111.07 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -35.88 25.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 64.21 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.53 HG23 ' HB3' ' A' ' 116' ' ' SER . 97.7 t -64.89 -49.47 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 73.43 111.128 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.69 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.88 -43.08 63.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 73.43 111.048 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.19 58.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 71.41 111.109 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.18 -51.18 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 53.52 110.876 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 65.3 mmm -52.85 -54.39 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 72.4 110.861 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.4 p -61.87 -29.74 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.42 111.099 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.76 -23.03 60.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.85 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -28.74 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 63.31 110.893 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.59 57.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 70.51 112.467 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.699 HD13 HD13 ' A' ' 91' ' ' LEU . 10.4 mt -105.27 -25.67 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 73.21 110.862 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.83 151.21 49.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 60.31 111.11 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.716 ' CB ' HD21 ' A' ' 88' ' ' LEU . 26.0 ttt180 -124.61 127.41 47.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.894 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.688 ' HA ' HG22 ' A' ' 85' ' ' VAL . 11.5 mtp -51.61 135.54 28.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 71.22 110.898 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.517 ' HB3' HG22 ' A' ' 84' ' ' THR . 9.8 tt0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 72.14 110.928 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.773 0.239 . . . . 70.33 112.332 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.05 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.282 -0.417 . . . . 65.52 110.894 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 76' ' ' ILE . 95.9 m -123.43 -41.68 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 65.32 111.105 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.7 t 57.36 62.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 73.23 111.105 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 74' ' ' THR . 62.2 mt -148.35 110.52 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 62.14 111.081 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.34 121.4 29.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 63.03 110.969 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -161.8 116.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 73.22 110.799 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -112.06 19.43 17.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 61.33 111.087 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m 52.69 77.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 63.45 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.57 82.55 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 72.41 110.878 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.978 HD21 ' HB3' ' A' ' 98' ' ' ALA . 2.9 mm? -65.05 148.58 51.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 51.04 110.933 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.685 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.8 m -122.86 133.6 68.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 54.44 111.121 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -81.31 123.42 28.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 41.45 111.133 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -144.49 130.9 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.51 111.139 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -110.66 132.22 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 61.25 111.193 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.51 144.65 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.32 111.128 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 130' ' ' ARG . 9.5 mt -101.55 -20.84 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 41.45 110.908 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 8.4 m -142.78 157.04 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 62.35 111.121 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.1 102.32 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 61.5 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -137.61 143.5 41.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.958 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.04 105.0 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.93 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.655 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -110.32 148.39 32.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 73.32 111.115 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -113.59 88.61 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.815 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.733 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -134.6 113.22 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.53 111.093 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.83 141.39 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 65.14 110.867 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 132.54 51.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 64.42 110.796 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.978 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -93.25 -46.06 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 64.35 111.132 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -37.52 19.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 54.3 111.194 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -101.13 -177.5 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 65.31 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -118.08 79.86 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.3 mt-10 -165.11 103.36 0.78 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 71.02 110.884 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.0 Cg_endo -69.82 172.69 12.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.636 2.224 . . . . 74.43 112.327 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.51 124.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 71.15 111.101 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.93 -20.94 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.084 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -159.16 129.84 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.871 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.67 158.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 65.33 111.133 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.45 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.66 21.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.665 0.745 . . . . 62.43 110.901 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.716 2.278 . . . . 75.24 112.33 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.53 -7.53 2.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 45.54 112.466 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.3 m -96.57 133.45 41.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 74.15 111.14 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.51 114.9 26.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 64.12 111.129 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.759 ' CD1' HG11 ' A' ' 107' ' ' VAL . 31.1 p90 -119.0 135.89 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 71.35 110.853 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -85.04 135.36 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.918 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.733 HG12 ' CB ' ' A' ' 95' ' ' ALA . 22.4 m -134.9 178.2 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.126 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.418 ' HB2' HG23 ' A' ' 119' ' ' VAL . 0.5 OUTLIER -75.8 149.23 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 75.03 110.827 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.38 -36.46 32.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 61.22 111.154 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.2 -27.31 52.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 64.02 112.472 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 116' ' ' SER . 95.7 t -72.62 -49.55 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.786 0.327 . . . . 74.43 111.113 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -52.11 -38.01 55.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.106 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.89 61.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 72.53 111.126 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.96 -44.89 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 70.2 110.911 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 90.6 mmm -52.0 -54.39 30.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 65.13 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.1 p -65.31 -30.91 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 72.13 111.148 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.35 -23.95 62.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 63.33 110.856 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -75.95 -25.98 56.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 64.11 110.882 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 80.07 21.64 64.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 52.14 112.474 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 91' ' ' LEU . 7.6 mt -110.79 -25.32 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 73.02 110.889 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -127.91 154.9 45.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 45.32 111.11 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.661 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.3 ttt180 -134.35 147.04 50.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.863 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.2 mtt -65.75 143.61 57.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.811 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.34 110.855 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.775 0.24 . . . . 74.05 112.394 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -174.38 -68.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 71.25 110.873 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.537 HG22 HG12 ' A' ' 76' ' ' ILE . 89.8 m -92.36 -55.85 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 74.11 111.069 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 t 60.11 39.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 72.23 111.057 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.537 HG12 HG22 ' A' ' 74' ' ' THR . 50.4 mm -120.28 109.62 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 73.45 111.139 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.74 125.23 28.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.54 110.866 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.99 125.39 39.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 71.44 110.82 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -130.7 19.57 5.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.187 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 p -147.86 53.78 1.04 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.895 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -142.82 81.72 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 70.42 110.884 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.522 HD21 ' H ' ' A' ' 99' ' ' THR . 1.0 OUTLIER -61.43 141.02 57.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 54.12 110.949 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.643 HG21 ' CB ' ' A' ' 120' ' ' ALA . 16.9 m -136.36 137.41 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 75.13 111.16 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.5 m -83.66 121.25 27.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 71.34 111.134 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.16 134.81 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 73.21 111.112 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -112.29 131.39 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 64.51 111.144 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.69 144.58 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.138 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.4 mt -102.81 -19.6 14.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 62.4 110.842 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 13.5 m -142.07 155.82 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 72.21 111.113 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.07 102.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 72.35 110.925 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 128' ' ' LEU . 12.3 tp -138.02 142.8 40.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 62.34 110.897 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 9.9 m170 -97.02 105.11 17.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 72.35 110.836 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.658 HG22 HG22 ' A' ' 107' ' ' VAL . 15.3 t -109.72 143.59 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.113 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.77 89.4 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.875 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.685 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.56 120.77 24.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.22 111.133 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 122.22 41.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 73.14 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.32 126.91 20.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.912 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.421 ' HB3' HD11 ' A' ' 82' ' ' LEU . . . -93.05 -46.61 7.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 51.43 111.129 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.522 ' H ' HD21 ' A' ' 82' ' ' LEU . 6.4 t -82.51 -30.09 30.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 63.51 111.15 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -111.31 -178.02 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.908 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.7 80.51 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 62.22 110.905 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -165.53 104.02 0.75 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.664 0.745 . . . . 72.21 110.837 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.7 Cg_endo -69.79 154.36 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 72.54 112.361 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -127.61 112.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 70.14 111.181 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.04 -21.18 12.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 55.2 111.029 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.1 p90 -159.19 129.48 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.82 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.8 158.37 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 64.23 111.124 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.63 162.61 21.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 70.14 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.4 Cg_endo -69.76 86.29 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.669 2.246 . . . . 73.22 112.37 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.22 -5.34 2.41 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.693 -0.765 . . . . 45.14 112.482 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 86' ' ' VAL . 86.5 m -98.08 134.84 40.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 60.12 111.123 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.61 114.87 26.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 70.12 111.073 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.754 ' CD1' HG11 ' A' ' 107' ' ' VAL . 26.3 p90 -120.22 141.42 49.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 72.13 110.935 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -91.15 136.04 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 72.22 110.845 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.685 HG12 ' CB ' ' A' ' 95' ' ' ALA . 34.4 m -138.92 172.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 62.31 111.129 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.54 ' HB3' HG23 ' A' ' 119' ' ' VAL . 35.5 t -62.8 158.45 18.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 55.25 110.833 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 81' ' ' GLU . . . -62.47 -32.55 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.129 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.24 -37.54 21.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 71.14 112.456 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 116' ' ' SER . 98.3 t -62.55 -49.06 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 52.45 111.165 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.643 ' CB ' HG21 ' A' ' 83' ' ' VAL . . . -51.9 -37.94 54.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 73.2 111.089 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -41.97 60.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 71.11 111.111 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.26 -44.71 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 55.12 110.88 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 84.5 mmm -51.74 -54.49 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.947 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.1 p -67.35 -29.33 68.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 55.31 111.141 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -73.04 -24.09 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 75.13 110.882 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -26.02 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 63.4 110.862 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.34 19.14 65.06 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 71.45 112.561 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 91' ' ' LEU . 9.7 mt -104.99 -25.25 12.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 62.04 110.925 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.8 150.0 52.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 64.13 111.048 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.595 ' HB2' HD11 ' A' ' 88' ' ' LEU . 5.0 ttt-85 -128.42 145.88 50.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 73.15 110.806 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.3 mtt -64.51 140.71 58.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 63.3 110.884 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 64.04 110.941 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.762 0.234 . . . . 61.23 112.398 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.94 -41.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 75.13 110.892 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.454 HG22 HG13 ' A' ' 76' ' ' ILE . 95.4 m -122.86 -41.8 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.2 111.161 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.2 t 57.35 62.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.149 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.454 HG13 HG22 ' A' ' 74' ' ' THR . 63.1 mt -148.1 121.36 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 53.01 111.169 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.54 127.45 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.945 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -130.28 47.92 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.853 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -147.29 143.96 28.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 65.42 111.126 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m -91.56 -76.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.852 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 53.25 89.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 74.35 110.862 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.704 HD13 ' O ' ' A' ' 115' ' ' VAL . 0.8 OUTLIER -54.4 148.16 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.898 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.2 m -127.91 135.93 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 74.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.1 m -83.82 116.72 22.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 51.32 111.205 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.49 134.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 75.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.95 130.56 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.23 111.145 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.24 140.56 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.33 111.055 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 130' ' ' ARG . 8.3 mt -99.24 -21.68 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 54.15 110.96 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 22.2 m -140.09 155.71 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 64.41 111.166 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.94 103.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 62.43 110.904 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.948 HD13 HD13 ' A' ' 128' ' ' LEU . 12.9 tp -138.38 143.71 39.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 74.42 110.935 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.74 104.77 16.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 75.15 110.888 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.666 HG22 HG22 ' A' ' 107' ' ' VAL . 14.3 t -109.61 144.19 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 72.23 111.115 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -105.08 89.28 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.861 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.96 179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 61.11 111.069 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.67 126.76 9.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.45 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 117.07 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.84 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.51 -46.52 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 61.05 111.064 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -79.86 -27.46 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 74.52 111.117 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -117.84 -176.09 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 73.01 110.835 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -117.75 81.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 72.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.67 103.27 0.83 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.681 0.753 . . . . 75.34 110.94 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.87 67.11 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 70.21 112.322 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 19.3 t -119.45 121.62 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.35 111.092 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -116.25 -22.86 8.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 74.31 111.097 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -158.52 130.21 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 73.14 110.902 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.765 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -115.39 159.14 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.21 111.162 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.3 mm? -113.58 162.64 21.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.683 . . . . 72.12 110.909 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.9 Cg_endo -69.75 86.01 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.688 2.258 . . . . 53.5 112.359 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.56 -5.96 2.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 74.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.9 m -97.66 134.06 41.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 73.23 111.109 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.12 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 54.22 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.765 ' CD1' HG11 ' A' ' 107' ' ' VAL . 25.4 p90 -121.31 136.08 55.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 62.12 110.923 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.575 ' HB3' HD12 ' A' ' 82' ' ' LEU . 26.1 mtt180 -84.82 134.43 34.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.894 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.704 ' O ' HD13 ' A' ' 82' ' ' LEU . 27.7 m -136.56 172.46 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 60.02 111.137 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.69 145.89 53.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.854 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.15 -30.47 16.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 65.41 111.055 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.8 37.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 75.11 112.529 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.77 -48.58 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 74.42 111.134 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.656 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.71 -36.78 48.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 70.54 111.138 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.74 62.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 31.41 111.044 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -44.88 36.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 70.54 110.848 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 80.6 mmm -51.62 -54.33 28.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.836 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.5 p -68.92 -30.63 69.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 73.24 111.123 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.66 -14.18 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 73.12 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -22.54 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.885 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.73 29.32 52.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 70.35 112.49 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.948 HD13 HD13 ' A' ' 91' ' ' LEU . 19.3 mt -115.03 -23.8 8.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 73.31 110.953 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.96 149.57 50.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 72.4 111.066 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.596 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -125.41 146.98 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.868 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.0 mtt -72.72 128.32 35.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.45 110.906 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.864 0.277 . . . . 75.45 112.353 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.75 -25.43 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 54.04 110.909 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.46 HG22 HG13 ' A' ' 76' ' ' ILE . 97.5 m -100.41 -39.18 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 54.44 111.045 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.9 t 58.31 60.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 64.01 111.101 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.46 HG13 HG22 ' A' ' 74' ' ' THR . 62.3 mt -148.31 130.17 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 54.44 111.113 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.57 125.28 48.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.05 110.924 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -146.66 52.35 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 71.15 110.901 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 48.9 p -142.36 130.37 21.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 63.03 111.117 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.4 t -101.34 -76.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 65.42 110.853 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.78 93.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 72.12 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 98' ' ' ALA . 1.5 mm? -57.46 147.5 26.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 60.44 110.816 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.2 m -127.66 135.09 64.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 63.44 111.135 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -82.57 122.78 28.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 73.44 111.149 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 p -143.57 132.18 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.33 111.108 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -111.19 132.26 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 60.42 111.099 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.54 146.3 50.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.12 111.02 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.15 -21.53 14.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 72.13 110.856 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 10.0 m -141.65 156.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 72.31 111.132 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HG3' HD13 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -52.96 102.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 70.12 110.824 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.935 HD13 HD13 ' A' ' 128' ' ' LEU . 12.4 tp -137.07 143.36 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 65.41 110.914 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 14.9 m170 -96.78 105.28 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.809 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.661 HG22 HG22 ' A' ' 107' ' ' VAL . 15.4 t -110.64 146.81 35.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.427 . . . . 71.01 111.146 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 89.34 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.904 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.717 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.39 113.09 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 63.22 111.12 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.32 122.52 33.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.02 110.954 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.64 126.91 18.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.41 110.878 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.793 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -92.91 -46.21 7.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 62.35 111.096 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.9 m -82.59 -32.46 28.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 73.01 111.141 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -108.71 -177.81 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -117.74 80.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.11 110.871 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.42 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -165.22 103.66 0.77 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 74.41 110.862 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.9 Cg_endo -69.79 154.54 67.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 63.34 112.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.6 t -127.23 120.4 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 42.14 111.149 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -117.37 -21.8 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 73.41 111.127 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 40.5 p90 -158.42 129.78 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 74.21 110.921 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.752 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -114.57 157.87 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 62.12 111.117 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 1.4 mm? -113.43 162.7 20.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.622 0.725 . . . . 43.44 110.964 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.76 85.86 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.716 2.277 . . . . 73.32 112.368 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.48 -5.78 2.39 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 45.2 112.487 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 86' ' ' VAL . 76.6 m -97.6 134.47 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 73.12 111.153 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.36 115.8 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.43 111.069 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.752 ' CD1' HG11 ' A' ' 107' ' ' VAL . 29.2 p90 -119.53 136.32 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 72.4 110.942 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -86.32 131.9 34.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.832 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.717 HG12 ' CB ' ' A' ' 95' ' ' ALA . 29.1 m -132.03 175.08 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.099 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.41 ' HB2' HG23 ' A' ' 119' ' ' VAL . 0.4 OUTLIER -71.89 148.21 46.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.497 . . . . 63.33 110.863 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.58 -35.62 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 51.45 111.044 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 -27.05 53.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.814 -0.708 . . . . 44.51 112.447 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 116' ' ' SER . 97.8 t -72.96 -49.1 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 73.22 111.072 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.98 -38.09 55.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.03 111.131 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.32 -41.79 60.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 33.41 111.125 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -76.1 -43.71 42.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 54.4 110.933 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 89.7 mmm -52.84 -54.48 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 72.03 110.861 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.7 p -66.03 -29.25 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 65.24 111.16 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.77 -23.41 61.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 65.41 110.944 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -76.91 -30.38 56.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 71.24 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 85.69 24.26 43.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 72.04 112.45 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.935 HD13 HD13 ' A' ' 91' ' ' LEU . 6.8 mt -114.09 -25.35 8.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 74.43 110.895 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -131.33 152.39 50.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 62.14 111.125 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.59 145.42 48.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 73.53 110.877 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.7 mtt -59.51 130.99 49.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.849 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 75.24 110.929 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.852 0.271 . . . . 73.13 112.375 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.67 -43.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.843 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.762 HG22 HG12 ' A' ' 76' ' ' ILE . 26.4 m -113.81 -53.02 2.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 62.0 111.127 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.24 47.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 62.41 111.147 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 74' ' ' THR . 34.4 mm -127.82 101.52 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.32 111.086 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.31 118.24 15.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.9 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -141.11 26.25 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 62.55 110.901 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.9 p -145.47 158.0 43.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.485 . . . . 75.03 111.132 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 p -119.75 -76.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 72.04 110.807 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 53.84 90.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 70.2 110.892 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.834 HD21 ' HB3' ' A' ' 98' ' ' ALA . 1.5 mm? -51.23 150.54 3.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.473 . . . . 35.05 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 120' ' ' ALA . 15.6 m -132.43 135.15 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 71.14 111.074 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.2 m -81.53 125.21 30.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 74.53 111.155 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.9 p -147.35 131.07 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 74.22 111.095 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 111' ' ' THR . 2.4 p -109.86 131.63 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 60.33 111.118 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.42 142.38 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.12 111.097 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 130' ' ' ARG . 12.4 mt -99.98 -21.45 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.944 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 31.6 m -141.53 156.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 60.44 111.111 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.04 102.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.43 110.937 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 128' ' ' LEU . 12.1 tp -137.86 143.17 40.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 74.25 110.924 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' PHE . 21.5 m170 -97.24 105.01 17.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.911 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 107' ' ' VAL . 14.7 t -109.52 146.64 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 54.31 111.134 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -109.55 89.39 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 72.22 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.712 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -130.01 122.05 27.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 72.25 111.124 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.84 122.46 42.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.886 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.36 124.54 13.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 71.21 110.864 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.834 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -90.84 -46.26 8.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 44.5 111.1 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.8 t -81.91 -31.59 31.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.441 . . . . 54.32 111.076 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -110.54 -177.28 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 72.24 110.861 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -117.94 80.57 1.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.893 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -165.15 103.52 0.78 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.616 0.722 . . . . 62.01 110.879 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 54.1 Cg_endo -69.71 154.37 68.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.679 2.253 . . . . 74.45 112.344 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 t -126.75 118.61 51.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 60.23 111.142 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -115.59 -22.04 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 63.23 111.081 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 92' ' ' HIS . 42.1 p90 -158.91 129.31 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 60.34 110.924 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -115.03 159.01 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 45.22 111.122 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.4 mm? -113.58 162.6 21.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 72.41 110.948 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 54.0 Cg_endo -69.74 85.55 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 61.35 112.377 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.1 -7.26 2.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.732 . . . . 55.35 112.498 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.5 m -97.48 133.23 42.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.805 0.336 . . . . 73.43 111.144 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 114.8 26.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 53.14 111.099 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.775 ' CD1' HG11 ' A' ' 107' ' ' VAL . 29.3 p90 -118.48 138.94 52.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.884 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -88.68 133.25 34.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.847 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 95' ' ' ALA . 26.9 m -134.42 177.89 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.01 111.157 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.551 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.4 t -70.7 158.77 35.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.852 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.08 72.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.15 111.066 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.23 -35.28 27.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 63.21 112.447 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 116' ' ' SER . 98.5 t -65.51 -50.36 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 75.21 111.153 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.71 -37.28 50.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.23 111.1 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.64 -42.03 61.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 62.23 111.137 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -76.36 -42.52 44.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 73.53 110.922 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 83.5 mmm -54.25 -54.49 39.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 73.35 110.9 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.52 111.174 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.45 -23.16 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 65.34 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -79.14 -26.38 42.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.805 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.51 17.85 67.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 73.54 112.454 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 91' ' ' LEU . 11.3 mt -104.49 -25.12 12.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 75.23 110.871 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.96 149.4 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 72.13 111.105 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.532 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -129.86 148.31 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 75.11 110.854 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 3.5 mtt -67.9 127.19 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.54 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 51.13 110.902 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.211 0 CA-C-O 120.792 0.247 . . . . 74.41 112.315 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.12 25.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 63.41 110.928 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.795 HG22 HG12 ' A' ' 76' ' ' ILE . 26.7 m -112.41 -52.94 2.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.193 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t 59.61 47.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.143 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.795 HG12 HG22 ' A' ' 74' ' ' THR . 32.6 mm -128.73 127.58 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 71.55 111.127 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -117.1 113.57 22.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.951 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.62 90.68 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 44.11 110.844 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.1 p -150.7 164.95 34.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.22 111.133 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -132.83 63.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.04 110.857 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -129.66 58.54 1.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 61.11 110.904 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD22 HG23 ' A' ' 99' ' ' THR . 0.9 OUTLIER -64.45 149.77 47.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 70.01 110.959 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 120' ' ' ALA . 13.4 m -132.98 136.91 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.15 111.076 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.9 m -84.99 126.72 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 73.33 111.17 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.2 p -147.47 133.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 65.25 111.108 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 111' ' ' THR . 2.2 p -111.53 132.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.13 111.1 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 146.56 51.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 64.34 111.105 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.08 -25.81 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 72.04 110.915 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.418 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 13.1 m -138.15 157.09 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.195 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -52.88 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 65.54 110.953 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 128' ' ' LEU . 11.6 tp -139.97 143.01 36.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 73.11 110.934 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -95.69 104.94 16.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 71.3 110.839 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.675 HG22 HG22 ' A' ' 107' ' ' VAL . 14.2 t -111.36 142.03 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 64.11 111.21 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -109.71 88.26 2.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 72.03 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.702 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -132.1 112.0 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 75.04 111.138 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.79 138.57 31.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.02 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 124.21 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 45.31 110.873 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.67 -46.19 10.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 64.22 111.088 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.541 HG23 HD22 ' A' ' 82' ' ' LEU . 27.0 p -84.72 -43.87 13.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 43.45 111.211 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.9 -176.85 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.873 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -118.45 80.2 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 72.1 110.858 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 1.8 tt0 -165.56 102.0 0.75 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.634 0.73 . . . . 75.13 110.889 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.7 171.42 14.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 54.51 112.341 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -145.32 130.75 13.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 70.34 111.169 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.79 -32.01 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 51.45 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -149.86 131.25 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 70.41 110.921 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.75 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.21 157.87 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 72.0 111.121 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.2 mm? -113.55 162.79 20.68 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 64.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.81 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 52.33 112.335 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.37 -4.9 2.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.772 . . . . 75.23 112.476 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 86' ' ' VAL . 89.1 m -98.07 134.89 40.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 60.24 111.131 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.7 115.04 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 63.04 111.088 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.75 ' CD1' HG11 ' A' ' 107' ' ' VAL . 30.7 p90 -118.67 135.27 54.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.828 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -86.1 132.43 34.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.829 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.702 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.0 m -132.79 177.44 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.03 111.162 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.538 ' HB3' HG23 ' A' ' 119' ' ' VAL . 34.7 t -71.02 158.78 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 72.04 110.868 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.76 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 71.31 111.084 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.42 -34.9 27.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 62.05 112.519 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.0 t -65.42 -49.99 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 62.4 111.115 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.673 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.74 -36.98 49.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.02 111.096 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.49 62.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.32 111.091 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -76.34 -43.57 40.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.872 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mmm -51.9 -54.39 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 71.12 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.2 p -65.56 -29.41 70.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 71.51 111.12 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.76 -23.15 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 53.23 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.92 -27.63 54.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.9 64.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 63.34 112.454 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.719 HD13 HD13 ' A' ' 91' ' ' LEU . 9.5 mt -107.26 -24.5 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 63.44 110.864 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.17 151.39 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 52.31 111.077 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -133.47 142.3 48.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.892 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.8 mtt -56.77 130.12 44.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.87 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.92 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.781 0.242 . . . . 72.12 112.345 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.03 -41.11 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 61.24 110.868 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.784 HG22 HG12 ' A' ' 76' ' ' ILE . 26.7 m -113.11 -53.07 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.185 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.8 t 59.85 47.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 71.11 111.165 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.784 HG12 HG22 ' A' ' 74' ' ' THR . 31.8 mm -129.18 126.96 65.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 61.43 111.15 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.44 112.27 22.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 70.02 110.878 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -130.95 92.22 3.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.939 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p -117.35 170.7 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.23 111.185 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.3 m 56.81 54.34 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 74.04 110.826 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.505 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 2.4 mt-10 -144.0 79.8 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 64.13 110.815 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.426 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -62.26 145.4 53.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 73.54 110.879 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 120' ' ' ALA . 14.3 m -140.32 136.6 36.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 64.32 111.15 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -84.02 125.05 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 64.03 111.103 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 p -145.63 133.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.31 111.095 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 111' ' ' THR . 2.3 p -110.31 132.11 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 62.54 111.066 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.0 147.1 50.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 71.55 111.086 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.19 -24.49 13.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 70.31 110.899 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.416 ' HA ' ' HB3' ' A' ' 109' ' ' PRO . 7.5 m -138.99 156.39 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 65.11 111.134 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -53.04 103.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 71.05 110.834 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.65 HD13 HD13 ' A' ' 128' ' ' LEU . 12.0 tp -139.17 141.25 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.871 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -94.72 105.12 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 65.5 110.826 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.679 HG22 HG22 ' A' ' 107' ' ' VAL . 15.0 t -111.19 145.26 38.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 64.12 111.127 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -111.02 88.43 2.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.838 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.712 ' CB ' HG12 ' A' ' 115' ' ' VAL . . . -133.82 112.96 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 52.34 111.114 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.9 139.9 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.893 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 124.77 22.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.891 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . . . -86.81 -45.74 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 73.12 111.056 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.3 m -83.94 -42.12 16.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 70.32 111.11 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -97.35 -176.44 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.15 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -118.2 80.07 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.852 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 2.9 tt0 -165.27 102.78 0.77 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 74.3 110.893 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.9 Cg_endo -69.75 171.76 13.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 74.53 112.357 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -144.88 125.38 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 74.13 111.15 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.3 -21.77 6.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 63.31 111.086 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -159.12 129.35 5.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 74.12 110.842 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.763 HG11 ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -114.1 158.0 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 74.13 111.151 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.448 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 2.1 mm? -113.53 162.81 20.58 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.571 0.7 . . . . 75.01 110.905 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.1 Cg_endo -69.83 86.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.644 2.229 . . . . 63.31 112.321 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.1 -4.9 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.725 . . . . 60.31 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 86' ' ' VAL . 87.7 m -98.7 134.79 41.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 71.11 111.179 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.8 115.01 26.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 65.1 111.077 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.763 ' CD1' HG11 ' A' ' 107' ' ' VAL . 31.4 p90 -118.9 135.23 54.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.848 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -84.96 135.04 34.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.882 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.712 HG12 ' CB ' ' A' ' 95' ' ' ALA . 27.0 m -136.17 175.01 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 64.3 111.128 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 119' ' ' VAL . 33.5 t -68.48 158.31 34.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 62.33 110.898 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.505 ' HB2' ' CB ' ' A' ' 81' ' ' GLU . . . -60.33 -33.43 72.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.099 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.29 -35.73 25.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.77 . . . . 44.22 112.528 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 116' ' ' SER . 93.8 t -64.18 -50.08 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.883 0.373 . . . . 75.13 111.175 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.82 -36.94 49.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 71.44 111.074 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.71 -42.57 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 64.41 111.11 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.38 -43.88 38.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.838 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.4 mmm -51.74 -54.42 28.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.483 . . . . 72.13 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.2 p -66.3 -29.32 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 71.12 111.137 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -74.29 -23.14 59.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.81 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -79.25 -25.56 42.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.05 110.833 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.19 17.79 70.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 63.32 112.543 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.65 HD13 HD13 ' A' ' 91' ' ' LEU . 10.0 mt -104.2 -24.36 13.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 72.23 110.934 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -134.2 151.43 51.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 73.15 111.145 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -131.79 142.6 49.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 70.12 110.855 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.2 mtt -64.49 130.36 43.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 50.23 110.907 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 72.24 110.902 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.791 0.246 . . . . 34.53 112.349 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.29 25.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 62.24 110.866 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.455 HG22 HG13 ' A' ' 76' ' ' ILE . 94.0 m -116.07 -40.62 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.183 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.4 t 57.3 62.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 70.23 111.106 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.455 HG13 HG22 ' A' ' 74' ' ' THR . 62.5 mt -148.38 135.95 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.3 111.16 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.33 94.53 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.929 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -129.68 112.8 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 61.45 110.919 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.8 p -82.27 1.19 37.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 55.21 111.137 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 t -179.61 -78.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 55.54 110.839 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.85 100.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.935 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 115' ' ' VAL . 0.8 OUTLIER -75.32 147.37 40.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 72.4 110.909 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.656 HG21 ' HB2' ' A' ' 120' ' ' ALA . 16.3 m -126.11 135.96 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 52.34 111.149 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.6 m -84.32 118.04 23.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 70.44 111.161 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 p -137.31 133.33 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 65.14 111.167 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 111' ' ' THR . 2.1 p -112.25 129.97 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 71.42 111.119 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.38 149.26 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 63.35 111.098 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 130' ' ' ARG . 8.2 mt -107.34 -12.02 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 75.02 110.935 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.9 m -153.2 159.93 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 65.21 111.125 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -53.38 105.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 72.51 110.889 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 128' ' ' LEU . 15.1 tp -138.43 143.68 39.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 70.52 110.922 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -97.24 105.05 17.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 54.53 110.853 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.562 HG22 HG22 ' A' ' 107' ' ' VAL . 11.3 t -114.92 142.3 46.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 74.22 111.169 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.44 89.29 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 61.05 110.895 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.485 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . . . -116.45 179.91 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.096 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.84 130.61 11.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 74.55 110.878 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 119.81 12.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 62.55 110.871 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.73 -46.56 10.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 71.31 111.091 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -26.22 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 65.22 111.102 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -118.32 -176.61 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 72.55 110.828 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -117.66 81.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.869 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -164.49 104.17 0.85 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 72.34 110.926 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 102' ' ' GLU . 53.6 Cg_endo -69.71 164.76 33.29 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.633 2.222 . . . . 71.12 112.343 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.485 ' HB ' ' HB3' ' A' ' 95' ' ' ALA . 89.0 t -130.12 130.69 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 74.14 111.116 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.47 -34.1 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 64.4 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -152.05 127.94 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.836 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.767 HG11 ' CD1' ' A' ' 113' ' ' PHE . 1.5 m -108.41 152.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 74.54 111.15 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.405 ' HB3' ' HD2' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -113.35 165.63 12.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.577 0.703 . . . . 72.23 110.911 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 108' ' ' LEU . 53.7 Cg_endo -69.82 92.29 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.692 2.262 . . . . 73.45 112.365 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.52 0.8 3.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.638 -0.791 . . . . 64.11 112.408 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.1 m -106.81 134.8 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 53.41 111.123 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -98.73 115.92 29.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 65.5 111.142 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.767 ' CD1' HG11 ' A' ' 107' ' ' VAL . 23.4 p90 -121.54 136.61 54.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.921 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.585 ' HB3' HD12 ' A' ' 82' ' ' LEU . 15.6 mtt180 -87.87 133.29 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.835 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.708 ' O ' HD13 ' A' ' 82' ' ' LEU . 28.8 m -135.09 172.92 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 53.14 111.169 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.2 145.55 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 75.43 110.813 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.56 -30.56 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 75.24 111.133 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.12 -28.74 48.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.837 -0.696 . . . . 72.3 112.456 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.97 -47.77 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 75.3 111.157 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.656 ' HB2' HG21 ' A' ' 83' ' ' VAL . . . -51.77 -37.33 50.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.25 111.149 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.34 -42.52 61.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.3 111.082 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.21 -42.93 44.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 88.6 mmm -53.31 -54.39 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 61.52 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.1 p -65.03 -30.56 71.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 75.5 111.137 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.14 -22.22 59.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 63.4 110.855 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -77.0 -27.04 54.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 53.3 110.837 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 81.42 24.65 56.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.708 -0.758 . . . . 71.33 112.47 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.035 HD13 HD13 ' A' ' 91' ' ' LEU . 8.8 mt -114.26 -24.98 8.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 64.45 110.954 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -132.91 150.22 52.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 30.42 111.085 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.467 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -132.32 147.17 52.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.872 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 1.3 mtt -59.83 137.95 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 65.45 110.828 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.21 110.861 -179.945 . . . . . . . . 0 0 . 1 stop_ save_